USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 30 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.827) USER MOD Set 1.2: B 51 LYS NZ :NH3+ 174:sc= 0.975 (180deg=0.923) USER MOD Set 2.1: B 24 HIS : no HD1:sc= -1.02! C(o=0.16!,f=-6.8!) USER MOD Set 2.2: B 27 THR OG1 : rot 140:sc= 1.18 USER MOD Set 3.1: B 18 TYR OH : rot 180:sc= -0.208 USER MOD Set 3.2: B 35 GLN : amide:sc= 0 X(o=-0.21,f=-0.23) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 164:sc= 1.01 (180deg=0.53) USER MOD Set 4.2: A 51 LYS NZ :NH3+ 177:sc= 0.953 (180deg=0.813) USER MOD Set 5.1: A 24 HIS : no HD1:sc= -1.03! C(o=0.13!,f=-6.7!) USER MOD Set 5.2: A 27 THR OG1 : rot 140:sc= 1.16 USER MOD Set 6.1: A 18 TYR OH : rot 180:sc= -0.186 USER MOD Set 6.2: A 35 GLN : amide:sc= 0 X(o=-0.19,f=-0.2) USER MOD Set 7.1: A 17 GLN : amide:sc= 0.805 K(o=2.5,f=-9.7!) USER MOD Set 7.2: B 1 MET N :NH3+ -153:sc= 1.7 (180deg=-1.39!) USER MOD Set 8.1: A 1 MET N :NH3+ -155:sc= 1.44 (180deg=-1.78!) USER MOD Set 8.2: B 17 GLN : amide:sc= 0.857 K(o=2.3,f=-9.3!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.128 (180deg=-0.688) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0.905) USER MOD Single : A 7 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-5.8!) USER MOD Single : A 13 ASN : amide:sc= -1.37 K(o=-1.4,f=-6.6!) USER MOD Single : A 16 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.4) USER MOD Single : A 19 SER OG : rot -97:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc=-0.00964 (180deg=-0.106) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0101 (180deg=-0.123) USER MOD Single : A 38 THR OG1 : rot -78:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.891 (180deg=0.835) USER MOD Single : A 43 ASN : amide:sc= 0.305 K(o=0.31,f=-1) USER MOD Single : A 44 THR OG1 : rot 130:sc= -0.0058 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -0.387 (180deg=-1.55) USER MOD Single : A 47 ASN : amide:sc= 0.636 K(o=0.64,f=-0.77) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.362 (180deg=-0.806) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.32 F(o=-1.8,f=-1.3) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.069 F(o=-1.4!,f=-0.069) USER MOD Single : A 65 GLN :FLIP amide:sc=-0.00985 F(o=-1.2,f=-0.0099) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0183 F(o=-1.2!,f=-0.018) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 76 SER OG : rot 35:sc= 0.988 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.6!) USER MOD Single : A 89 THR OG1 : rot -29:sc= 0.505 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.989) USER MOD Single : B 1 MET CE :methyl -160:sc= -0.133 (180deg=-0.706) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.05) USER MOD Single : B 7 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-5.9!) USER MOD Single : B 13 ASN : amide:sc= -1.35 K(o=-1.4,f=-6.6!) USER MOD Single : B 16 HIS : no HD1:sc= -2.49 X(o=-2.5,f=-2.5!) USER MOD Single : B 19 SER OG : rot -93:sc= 1.24 USER MOD Single : B 22 LYS NZ :NH3+ -171:sc=-0.00746 (180deg=-0.0948) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 34 LYS NZ :NH3+ -171:sc=-0.00295 (180deg=-0.0833) USER MOD Single : B 38 THR OG1 : rot -78:sc= 1.17 USER MOD Single : B 39 LYS NZ :NH3+ 178:sc= 0.849 (180deg=0.805) USER MOD Single : B 43 ASN : amide:sc= 0.335 K(o=0.33,f=-0.99) USER MOD Single : B 44 THR OG1 : rot 130:sc= -0.0035 USER MOD Single : B 46 LYS NZ :NH3+ 151:sc= -0.506 (180deg=-1.72) USER MOD Single : B 47 ASN : amide:sc= 0.661 K(o=0.66,f=-0.81) USER MOD Single : B 49 LYS NZ :NH3+ 160:sc= -0.368 (180deg=-0.831) USER MOD Single : B 59 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD Single : B 64 ASN :FLIP amide:sc= -0.06 F(o=-1.4!,f=-0.06) USER MOD Single : B 65 GLN :FLIP amide:sc=-0.00987 F(o=-1.2!,f=-0.0099) USER MOD Single : B 68 GLN :FLIP amide:sc= -0.0213 F(o=-1.2!,f=-0.021) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 76 SER OG : rot 45:sc= 0.901 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.982 K(o=0.98,f=-4.5!) USER MOD Single : B 89 THR OG1 : rot -22:sc= 0.396 USER MOD Single : B 90 HIS : no HD1:sc=-7.07e-05 X(o=-7.1e-05,f=0) USER MOD Single : B 91 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.767 -0.231 12.407 1.00 4.69 N ATOM 2 CA MET A 1 -11.593 0.476 13.413 1.00 4.21 C ATOM 3 C MET A 1 -10.897 1.752 13.885 1.00 3.60 C ATOM 4 O MET A 1 -11.359 2.857 13.604 1.00 4.04 O ATOM 5 CB MET A 1 -11.881 -0.443 14.605 1.00 4.50 C ATOM 6 CG MET A 1 -12.722 0.207 15.694 1.00 5.00 C ATOM 7 SD MET A 1 -13.059 -0.909 17.072 1.00 5.79 S ATOM 8 CE MET A 1 -13.993 -2.200 16.251 1.00 6.42 C ATOM 0 H1 MET A 1 -11.380 -0.816 11.804 1.00 4.69 H new ATOM 0 H2 MET A 1 -10.265 0.465 11.819 1.00 4.69 H new ATOM 0 H3 MET A 1 -10.076 -0.839 12.891 1.00 4.69 H new ATOM 0 HA MET A 1 -12.538 0.753 12.946 1.00 4.21 H new ATOM 0 HB2 MET A 1 -12.394 -1.336 14.248 1.00 4.50 H new ATOM 0 HB3 MET A 1 -10.935 -0.770 15.036 1.00 4.50 H new ATOM 0 HG2 MET A 1 -12.206 1.092 16.066 1.00 5.00 H new ATOM 0 HG3 MET A 1 -13.666 0.545 15.266 1.00 5.00 H new ATOM 0 HE1 MET A 1 -14.566 -2.761 16.990 1.00 6.42 H new ATOM 0 HE2 MET A 1 -14.674 -1.752 15.527 1.00 6.42 H new ATOM 0 HE3 MET A 1 -13.308 -2.873 15.736 1.00 6.42 H new ATOM 20 N THR A 2 -9.788 1.603 14.599 1.00 3.06 N ATOM 21 CA THR A 2 -9.052 2.750 15.108 1.00 2.90 C ATOM 22 C THR A 2 -7.570 2.400 15.293 1.00 2.45 C ATOM 23 O THR A 2 -7.059 2.314 16.408 1.00 3.04 O ATOM 24 CB THR A 2 -9.681 3.274 16.431 1.00 3.67 C ATOM 25 OG1 THR A 2 -8.918 4.364 16.965 1.00 4.25 O ATOM 26 CG2 THR A 2 -9.800 2.169 17.476 1.00 4.23 C ATOM 0 H THR A 2 -9.380 0.699 14.838 1.00 3.06 H new ATOM 0 HA THR A 2 -9.118 3.553 14.374 1.00 2.90 H new ATOM 0 HB THR A 2 -10.684 3.626 16.189 1.00 3.67 H new ATOM 0 HG1 THR A 2 -9.333 4.678 17.795 1.00 4.25 H new ATOM 0 HG21 THR A 2 -10.244 2.574 18.385 1.00 4.23 H new ATOM 0 HG22 THR A 2 -10.432 1.369 17.089 1.00 4.23 H new ATOM 0 HG23 THR A 2 -8.810 1.773 17.701 1.00 4.23 H new ATOM 34 N LYS A 3 -6.879 2.185 14.180 1.00 2.16 N ATOM 35 CA LYS A 3 -5.470 1.828 14.214 1.00 2.53 C ATOM 36 C LYS A 3 -4.640 2.960 13.624 1.00 2.08 C ATOM 37 O LYS A 3 -3.482 2.772 13.247 1.00 2.81 O ATOM 38 CB LYS A 3 -5.229 0.522 13.455 1.00 3.53 C ATOM 39 CG LYS A 3 -6.074 -0.639 13.964 1.00 4.29 C ATOM 40 CD LYS A 3 -5.807 -1.924 13.192 1.00 5.38 C ATOM 41 CE LYS A 3 -4.412 -2.466 13.459 1.00 5.97 C ATOM 42 NZ LYS A 3 -4.226 -2.884 14.874 1.00 6.05 N ATOM 0 H LYS A 3 -7.274 2.252 13.242 1.00 2.16 H new ATOM 0 HA LYS A 3 -5.166 1.674 15.249 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -5.442 0.680 12.398 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -4.175 0.255 13.531 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -5.866 -0.802 15.021 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -7.130 -0.381 13.883 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -6.547 -2.675 13.469 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -5.926 -1.738 12.125 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -4.225 -3.317 12.804 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -3.675 -1.703 13.209 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -3.335 -3.413 14.965 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -4.192 -2.042 15.483 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -5.020 -3.490 15.164 1.00 6.05 H new ATOM 56 N LEU A 4 -5.274 4.132 13.527 1.00 1.61 N ATOM 57 CA LEU A 4 -4.630 5.349 13.036 1.00 1.98 C ATOM 58 C LEU A 4 -4.259 5.237 11.561 1.00 1.51 C ATOM 59 O LEU A 4 -4.532 4.231 10.899 1.00 2.03 O ATOM 60 CB LEU A 4 -3.374 5.690 13.859 1.00 3.02 C ATOM 61 CG LEU A 4 -3.620 6.283 15.253 1.00 3.80 C ATOM 62 CD1 LEU A 4 -4.214 5.253 16.201 1.00 4.50 C ATOM 63 CD2 LEU A 4 -2.328 6.843 15.824 1.00 4.44 C ATOM 0 H LEU A 4 -6.251 4.262 13.788 1.00 1.61 H new ATOM 0 HA LEU A 4 -5.357 6.153 13.150 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -2.781 4.782 13.972 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -2.771 6.396 13.288 1.00 3.02 H new ATOM 0 HG LEU A 4 -4.342 7.093 15.147 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -4.375 5.708 17.178 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -5.166 4.900 15.804 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -3.528 4.412 16.301 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -2.518 7.260 16.813 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -1.589 6.046 15.902 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -1.949 7.626 15.167 1.00 4.44 H new ATOM 75 N GLU A 5 -3.625 6.285 11.059 1.00 1.20 N ATOM 76 CA GLU A 5 -3.145 6.324 9.686 1.00 0.93 C ATOM 77 C GLU A 5 -1.785 5.642 9.619 1.00 0.69 C ATOM 78 O GLU A 5 -1.086 5.693 8.606 1.00 0.68 O ATOM 79 CB GLU A 5 -3.023 7.771 9.192 1.00 1.39 C ATOM 80 CG GLU A 5 -4.298 8.598 9.314 1.00 1.80 C ATOM 81 CD GLU A 5 -4.652 8.957 10.745 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.958 9.811 11.339 1.00 3.00 O ATOM 83 OE2 GLU A 5 -5.623 8.386 11.283 1.00 3.10 O ATOM 0 H GLU A 5 -3.429 7.133 11.591 1.00 1.20 H new ATOM 0 HA GLU A 5 -3.858 5.804 9.046 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -2.231 8.266 9.753 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -2.713 7.758 8.147 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.184 9.515 8.735 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -5.125 8.043 8.872 1.00 1.80 H new ATOM 90 N GLU A 6 -1.452 4.978 10.719 1.00 0.68 N ATOM 91 CA GLU A 6 -0.159 4.347 10.924 1.00 0.67 C ATOM 92 C GLU A 6 0.116 3.260 9.882 1.00 0.54 C ATOM 93 O GLU A 6 1.258 2.849 9.683 1.00 0.60 O ATOM 94 CB GLU A 6 -0.112 3.769 12.339 1.00 0.78 C ATOM 95 CG GLU A 6 1.265 3.288 12.756 1.00 1.07 C ATOM 96 CD GLU A 6 1.327 2.900 14.214 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.804 1.829 14.571 1.00 2.51 O ATOM 98 OE2 GLU A 6 1.921 3.657 15.010 1.00 2.48 O ATOM 0 H GLU A 6 -2.088 4.862 11.508 1.00 0.68 H new ATOM 0 HA GLU A 6 0.622 5.098 10.805 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -0.451 4.529 13.044 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -0.813 2.937 12.406 1.00 0.78 H new ATOM 0 HG2 GLU A 6 1.548 2.432 12.144 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.995 4.074 12.562 1.00 1.07 H new ATOM 105 N HIS A 7 -0.929 2.785 9.224 1.00 0.42 N ATOM 106 CA HIS A 7 -0.754 1.817 8.152 1.00 0.38 C ATOM 107 C HIS A 7 -0.021 2.478 6.986 1.00 0.35 C ATOM 108 O HIS A 7 1.125 2.142 6.678 1.00 0.39 O ATOM 109 CB HIS A 7 -2.100 1.270 7.661 1.00 0.43 C ATOM 110 CG HIS A 7 -3.009 0.768 8.743 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.781 -0.389 9.459 1.00 1.73 N ATOM 112 CD2 HIS A 7 -4.171 1.278 9.217 1.00 1.60 C ATOM 113 CE1 HIS A 7 -3.765 -0.565 10.323 1.00 2.16 C ATOM 114 NE2 HIS A 7 -4.619 0.432 10.195 1.00 2.03 N ATOM 0 H HIS A 7 -1.897 3.049 9.410 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.171 0.983 8.542 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.616 2.056 7.109 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.912 0.458 6.959 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -1.980 -1.010 9.340 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -4.655 2.185 8.885 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -3.855 -1.387 11.017 1.00 2.16 H new ATOM 123 N LEU A 8 -0.693 3.451 6.383 1.00 0.34 N ATOM 124 CA LEU A 8 -0.173 4.188 5.236 1.00 0.32 C ATOM 125 C LEU A 8 1.055 4.998 5.613 1.00 0.33 C ATOM 126 O LEU A 8 2.143 4.792 5.073 1.00 0.33 O ATOM 127 CB LEU A 8 -1.258 5.125 4.732 1.00 0.33 C ATOM 128 CG LEU A 8 -2.585 4.433 4.425 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.670 5.451 4.157 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.433 3.486 3.250 1.00 0.33 C ATOM 0 H LEU A 8 -1.621 3.754 6.678 1.00 0.34 H new ATOM 0 HA LEU A 8 0.115 3.477 4.462 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.429 5.901 5.478 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -0.903 5.623 3.830 1.00 0.33 H new ATOM 0 HG LEU A 8 -2.877 3.849 5.298 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.606 4.936 3.941 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.799 6.085 5.034 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.388 6.066 3.303 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.388 3.003 3.046 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.115 4.046 2.370 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.686 2.728 3.488 1.00 0.33 H new ATOM 142 N GLU A 9 0.877 5.905 6.563 1.00 0.37 N ATOM 143 CA GLU A 9 1.947 6.797 6.975 1.00 0.40 C ATOM 144 C GLU A 9 3.070 6.014 7.638 1.00 0.40 C ATOM 145 O GLU A 9 4.199 6.478 7.697 1.00 0.42 O ATOM 146 CB GLU A 9 1.429 7.873 7.925 1.00 0.47 C ATOM 147 CG GLU A 9 0.300 8.708 7.346 1.00 1.24 C ATOM 148 CD GLU A 9 -0.042 9.894 8.222 1.00 1.72 C ATOM 149 OE1 GLU A 9 -0.440 9.686 9.387 1.00 2.41 O ATOM 150 OE2 GLU A 9 0.090 11.040 7.754 1.00 2.17 O ATOM 0 H GLU A 9 -0.002 6.041 7.063 1.00 0.37 H new ATOM 0 HA GLU A 9 2.336 7.285 6.082 1.00 0.40 H new ATOM 0 HB2 GLU A 9 1.084 7.398 8.843 1.00 0.47 H new ATOM 0 HB3 GLU A 9 2.253 8.532 8.197 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.583 9.061 6.354 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -0.585 8.083 7.222 1.00 1.24 H new ATOM 157 N GLY A 10 2.747 4.826 8.137 1.00 0.40 N ATOM 158 CA GLY A 10 3.755 3.976 8.735 1.00 0.43 C ATOM 159 C GLY A 10 4.719 3.424 7.707 1.00 0.39 C ATOM 160 O GLY A 10 5.899 3.259 7.987 1.00 0.44 O ATOM 0 H GLY A 10 1.804 4.438 8.137 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.309 4.543 9.483 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.270 3.151 9.256 1.00 0.43 H new ATOM 164 N ILE A 11 4.215 3.123 6.518 1.00 0.34 N ATOM 165 CA ILE A 11 5.078 2.714 5.413 1.00 0.33 C ATOM 166 C ILE A 11 5.957 3.890 4.987 1.00 0.33 C ATOM 167 O ILE A 11 7.145 3.742 4.686 1.00 0.38 O ATOM 168 CB ILE A 11 4.243 2.218 4.209 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.494 0.929 4.564 1.00 0.41 C ATOM 170 CG2 ILE A 11 5.123 2.004 2.988 1.00 0.50 C ATOM 171 CD1 ILE A 11 4.404 -0.243 4.879 1.00 1.16 C ATOM 0 H ILE A 11 3.221 3.153 6.292 1.00 0.34 H new ATOM 0 HA ILE A 11 5.706 1.890 5.753 1.00 0.33 H new ATOM 0 HB ILE A 11 3.510 2.988 3.968 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.851 1.119 5.424 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.843 0.658 3.733 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.512 1.655 2.156 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.604 2.944 2.717 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.886 1.259 3.215 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.800 -1.118 5.120 1.00 1.16 H new ATOM 0 HD12 ILE A 11 5.029 -0.461 4.013 1.00 1.16 H new ATOM 0 HD13 ILE A 11 5.037 0.007 5.730 1.00 1.16 H new ATOM 183 N VAL A 12 5.359 5.064 5.004 1.00 0.33 N ATOM 184 CA VAL A 12 6.033 6.289 4.623 1.00 0.38 C ATOM 185 C VAL A 12 7.104 6.688 5.641 1.00 0.40 C ATOM 186 O VAL A 12 8.208 7.088 5.266 1.00 0.45 O ATOM 187 CB VAL A 12 4.995 7.413 4.459 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.644 8.745 4.142 1.00 0.57 C ATOM 189 CG2 VAL A 12 4.017 7.027 3.370 1.00 0.48 C ATOM 0 H VAL A 12 4.387 5.196 5.284 1.00 0.33 H new ATOM 0 HA VAL A 12 6.541 6.120 3.674 1.00 0.38 H new ATOM 0 HB VAL A 12 4.469 7.536 5.406 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.874 9.509 4.035 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.320 9.022 4.951 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.206 8.664 3.212 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.278 7.819 3.248 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.554 6.884 2.432 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.514 6.100 3.645 1.00 0.48 H new ATOM 199 N ASN A 13 6.800 6.548 6.927 1.00 0.42 N ATOM 200 CA ASN A 13 7.721 6.993 7.965 1.00 0.48 C ATOM 201 C ASN A 13 8.842 5.986 8.207 1.00 0.48 C ATOM 202 O ASN A 13 9.875 6.349 8.760 1.00 0.58 O ATOM 203 CB ASN A 13 6.997 7.352 9.282 1.00 0.61 C ATOM 204 CG ASN A 13 6.321 6.187 9.995 1.00 0.75 C ATOM 205 OD1 ASN A 13 6.764 5.044 9.936 1.00 1.31 O ATOM 206 ND2 ASN A 13 5.240 6.486 10.698 1.00 1.42 N ATOM 0 H ASN A 13 5.934 6.135 7.272 1.00 0.42 H new ATOM 0 HA ASN A 13 8.179 7.909 7.592 1.00 0.48 H new ATOM 0 HB2 ASN A 13 7.719 7.803 9.963 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.244 8.111 9.068 1.00 0.61 H new ATOM 0 HD21 ASN A 13 4.748 5.755 11.213 1.00 1.42 H new ATOM 0 HD22 ASN A 13 4.899 7.447 10.725 1.00 1.42 H new ATOM 213 N ILE A 14 8.660 4.732 7.794 1.00 0.47 N ATOM 214 CA ILE A 14 9.750 3.765 7.888 1.00 0.57 C ATOM 215 C ILE A 14 10.729 3.960 6.737 1.00 0.53 C ATOM 216 O ILE A 14 11.934 3.746 6.894 1.00 0.60 O ATOM 217 CB ILE A 14 9.278 2.290 7.937 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.433 1.933 6.714 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.512 2.022 9.224 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.007 0.480 6.664 1.00 2.06 C ATOM 0 H ILE A 14 7.791 4.369 7.401 1.00 0.47 H new ATOM 0 HA ILE A 14 10.243 3.960 8.840 1.00 0.57 H new ATOM 0 HB ILE A 14 10.162 1.652 7.920 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.543 2.563 6.703 1.00 1.33 H new ATOM 0 HG13 ILE A 14 9.000 2.166 5.813 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.187 0.982 9.244 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.159 2.217 10.080 1.00 1.14 H new ATOM 0 HG23 ILE A 14 7.641 2.675 9.272 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.412 0.306 5.768 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.891 -0.158 6.642 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.412 0.245 7.546 1.00 2.06 H new ATOM 232 N PHE A 15 10.224 4.397 5.581 1.00 0.48 N ATOM 233 CA PHE A 15 11.104 4.758 4.478 1.00 0.58 C ATOM 234 C PHE A 15 11.857 6.028 4.855 1.00 0.60 C ATOM 235 O PHE A 15 13.067 6.140 4.667 1.00 0.70 O ATOM 236 CB PHE A 15 10.306 4.966 3.188 1.00 0.68 C ATOM 237 CG PHE A 15 11.163 5.001 1.951 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.486 3.827 1.290 1.00 1.74 C ATOM 239 CD2 PHE A 15 11.644 6.199 1.453 1.00 1.93 C ATOM 240 CE1 PHE A 15 12.273 3.847 0.155 1.00 2.35 C ATOM 241 CE2 PHE A 15 12.433 6.225 0.318 1.00 2.54 C ATOM 242 CZ PHE A 15 12.747 5.047 -0.331 1.00 2.57 C ATOM 0 H PHE A 15 9.228 4.507 5.390 1.00 0.48 H new ATOM 0 HA PHE A 15 11.812 3.949 4.296 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.573 4.165 3.090 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.749 5.900 3.261 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.118 2.884 1.667 1.00 1.74 H new ATOM 0 HD2 PHE A 15 11.401 7.123 1.956 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.517 2.924 -0.351 1.00 2.35 H new ATOM 0 HE2 PHE A 15 12.804 7.166 -0.061 1.00 2.54 H new ATOM 0 HZ PHE A 15 13.363 5.066 -1.218 1.00 2.57 H new ATOM 252 N HIS A 16 11.113 6.966 5.426 1.00 0.59 N ATOM 253 CA HIS A 16 11.669 8.201 5.974 1.00 0.71 C ATOM 254 C HIS A 16 12.716 7.879 7.047 1.00 0.75 C ATOM 255 O HIS A 16 13.703 8.596 7.212 1.00 0.88 O ATOM 256 CB HIS A 16 10.515 9.017 6.579 1.00 0.77 C ATOM 257 CG HIS A 16 10.847 10.419 7.009 1.00 1.15 C ATOM 258 ND1 HIS A 16 9.959 11.463 6.867 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.933 10.939 7.629 1.00 1.84 C ATOM 260 CE1 HIS A 16 10.482 12.558 7.379 1.00 2.22 C ATOM 261 NE2 HIS A 16 11.680 12.269 7.849 1.00 2.23 N ATOM 0 H HIS A 16 10.100 6.893 5.524 1.00 0.59 H new ATOM 0 HA HIS A 16 12.160 8.775 5.188 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.709 9.065 5.847 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.129 8.476 7.443 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.832 10.405 7.900 1.00 1.84 H new ATOM 0 HE1 HIS A 16 10.010 13.529 7.409 1.00 2.22 H new ATOM 0 HE2 HIS A 16 12.314 12.927 8.302 1.00 2.23 H new ATOM 270 N GLN A 17 12.492 6.780 7.754 1.00 0.69 N ATOM 271 CA GLN A 17 13.319 6.402 8.892 1.00 0.81 C ATOM 272 C GLN A 17 14.726 5.990 8.469 1.00 0.93 C ATOM 273 O GLN A 17 15.709 6.530 8.978 1.00 1.18 O ATOM 274 CB GLN A 17 12.646 5.273 9.677 1.00 0.85 C ATOM 275 CG GLN A 17 13.414 4.835 10.910 1.00 1.27 C ATOM 276 CD GLN A 17 12.623 3.876 11.776 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.686 2.658 11.603 1.00 2.60 O ATOM 278 NE2 GLN A 17 11.871 4.419 12.717 1.00 2.77 N ATOM 0 H GLN A 17 11.734 6.127 7.556 1.00 0.69 H new ATOM 0 HA GLN A 17 13.419 7.279 9.532 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.650 5.598 9.978 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.516 4.414 9.019 1.00 0.85 H new ATOM 0 HG2 GLN A 17 14.346 4.359 10.604 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.683 5.713 11.498 1.00 1.27 H new ATOM 0 HE21 GLN A 17 11.846 5.433 12.828 1.00 2.77 H new ATOM 0 HE22 GLN A 17 11.316 3.825 13.332 1.00 2.77 H new ATOM 287 N TYR A 18 14.840 5.044 7.545 1.00 0.85 N ATOM 288 CA TYR A 18 16.154 4.535 7.180 1.00 1.07 C ATOM 289 C TYR A 18 16.817 5.401 6.117 1.00 1.34 C ATOM 290 O TYR A 18 18.004 5.713 6.223 1.00 1.76 O ATOM 291 CB TYR A 18 16.084 3.083 6.695 1.00 1.22 C ATOM 292 CG TYR A 18 17.455 2.474 6.484 1.00 2.34 C ATOM 293 CD1 TYR A 18 18.182 1.976 7.557 1.00 3.25 C ATOM 294 CD2 TYR A 18 18.030 2.420 5.221 1.00 3.14 C ATOM 295 CE1 TYR A 18 19.443 1.442 7.378 1.00 4.48 C ATOM 296 CE2 TYR A 18 19.290 1.883 5.033 1.00 4.38 C ATOM 297 CZ TYR A 18 19.994 1.397 6.117 1.00 4.92 C ATOM 298 OH TYR A 18 21.253 0.865 5.939 1.00 6.25 O ATOM 0 H TYR A 18 14.057 4.622 7.045 1.00 0.85 H new ATOM 0 HA TYR A 18 16.762 4.570 8.084 1.00 1.07 H new ATOM 0 HB2 TYR A 18 15.533 2.487 7.423 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.524 3.042 5.761 1.00 1.22 H new ATOM 0 HD1 TYR A 18 17.754 2.007 8.548 1.00 3.25 H new ATOM 0 HD2 TYR A 18 17.484 2.804 4.372 1.00 3.14 H new ATOM 0 HE1 TYR A 18 19.995 1.061 8.224 1.00 4.48 H new ATOM 0 HE2 TYR A 18 19.721 1.844 4.044 1.00 4.38 H new ATOM 0 HH TYR A 18 21.495 0.907 4.990 1.00 6.25 H new ATOM 308 N SER A 19 16.058 5.793 5.103 1.00 1.32 N ATOM 309 CA SER A 19 16.617 6.516 3.970 1.00 1.77 C ATOM 310 C SER A 19 17.145 7.894 4.372 1.00 1.85 C ATOM 311 O SER A 19 18.359 8.097 4.445 1.00 2.32 O ATOM 312 CB SER A 19 15.579 6.639 2.856 1.00 2.37 C ATOM 313 OG SER A 19 15.237 5.361 2.346 1.00 3.01 O ATOM 0 H SER A 19 15.054 5.622 5.042 1.00 1.32 H new ATOM 0 HA SER A 19 17.467 5.942 3.601 1.00 1.77 H new ATOM 0 HB2 SER A 19 14.686 7.135 3.237 1.00 2.37 H new ATOM 0 HB3 SER A 19 15.972 7.263 2.053 1.00 2.37 H new ATOM 0 HG SER A 19 15.760 5.181 1.537 1.00 3.01 H new ATOM 319 N VAL A 20 16.244 8.833 4.642 1.00 2.11 N ATOM 320 CA VAL A 20 16.642 10.201 4.944 1.00 2.50 C ATOM 321 C VAL A 20 15.413 11.056 5.260 1.00 2.64 C ATOM 322 O VAL A 20 14.279 10.628 5.030 1.00 3.25 O ATOM 323 CB VAL A 20 17.421 10.813 3.750 1.00 3.30 C ATOM 324 CG1 VAL A 20 16.493 11.081 2.579 1.00 3.90 C ATOM 325 CG2 VAL A 20 18.171 12.075 4.150 1.00 4.13 C ATOM 0 H VAL A 20 15.237 8.671 4.658 1.00 2.11 H new ATOM 0 HA VAL A 20 17.293 10.185 5.818 1.00 2.50 H new ATOM 0 HB VAL A 20 18.165 10.080 3.437 1.00 3.30 H new ATOM 0 HG11 VAL A 20 17.062 11.510 1.754 1.00 3.90 H new ATOM 0 HG12 VAL A 20 16.035 10.146 2.256 1.00 3.90 H new ATOM 0 HG13 VAL A 20 15.714 11.780 2.884 1.00 3.90 H new ATOM 0 HG21 VAL A 20 18.703 12.472 3.285 1.00 4.13 H new ATOM 0 HG22 VAL A 20 17.463 12.820 4.513 1.00 4.13 H new ATOM 0 HG23 VAL A 20 18.885 11.839 4.939 1.00 4.13 H new ATOM 335 N ARG A 21 15.647 12.243 5.810 1.00 2.80 N ATOM 336 CA ARG A 21 14.583 13.200 6.083 1.00 3.55 C ATOM 337 C ARG A 21 13.803 13.528 4.808 1.00 3.96 C ATOM 338 O ARG A 21 14.361 14.040 3.836 1.00 4.55 O ATOM 339 CB ARG A 21 15.167 14.473 6.708 1.00 4.19 C ATOM 340 CG ARG A 21 16.253 15.135 5.874 1.00 4.83 C ATOM 341 CD ARG A 21 16.872 16.315 6.603 1.00 5.36 C ATOM 342 NE ARG A 21 17.539 15.903 7.838 1.00 5.87 N ATOM 343 CZ ARG A 21 18.685 16.419 8.276 1.00 6.57 C ATOM 344 NH1 ARG A 21 19.291 17.381 7.590 1.00 6.84 N ATOM 345 NH2 ARG A 21 19.223 15.971 9.402 1.00 7.28 N ATOM 0 H ARG A 21 16.576 12.567 6.078 1.00 2.80 H new ATOM 0 HA ARG A 21 13.887 12.752 6.792 1.00 3.55 H new ATOM 0 HB2 ARG A 21 14.361 15.189 6.868 1.00 4.19 H new ATOM 0 HB3 ARG A 21 15.576 14.228 7.688 1.00 4.19 H new ATOM 0 HG2 ARG A 21 17.027 14.405 5.637 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.832 15.471 4.927 1.00 4.83 H new ATOM 0 HD2 ARG A 21 17.591 16.809 5.949 1.00 5.36 H new ATOM 0 HD3 ARG A 21 16.097 17.046 6.835 1.00 5.36 H new ATOM 0 HE ARG A 21 17.098 15.174 8.399 1.00 5.87 H new ATOM 0 HH11 ARG A 21 18.878 17.727 6.724 1.00 6.84 H new ATOM 0 HH12 ARG A 21 20.169 17.774 7.929 1.00 6.84 H new ATOM 0 HH21 ARG A 21 18.759 15.232 9.931 1.00 7.28 H new ATOM 0 HH22 ARG A 21 20.101 16.365 9.740 1.00 7.28 H new ATOM 359 N LYS A 22 12.510 13.203 4.833 1.00 4.13 N ATOM 360 CA LYS A 22 11.608 13.366 3.687 1.00 4.90 C ATOM 361 C LYS A 22 11.973 12.427 2.540 1.00 5.04 C ATOM 362 O LYS A 22 11.228 11.498 2.234 1.00 5.58 O ATOM 363 CB LYS A 22 11.566 14.818 3.194 1.00 5.68 C ATOM 364 CG LYS A 22 10.883 15.779 4.157 1.00 6.44 C ATOM 365 CD LYS A 22 9.415 15.426 4.381 1.00 7.32 C ATOM 366 CE LYS A 22 8.601 15.501 3.095 1.00 8.19 C ATOM 367 NZ LYS A 22 8.585 16.871 2.519 1.00 8.70 N ATOM 0 H LYS A 22 12.052 12.815 5.658 1.00 4.13 H new ATOM 0 HA LYS A 22 10.611 13.100 4.039 1.00 4.90 H new ATOM 0 HB2 LYS A 22 12.586 15.161 3.017 1.00 5.68 H new ATOM 0 HB3 LYS A 22 11.048 14.851 2.236 1.00 5.68 H new ATOM 0 HG2 LYS A 22 11.408 15.767 5.112 1.00 6.44 H new ATOM 0 HG3 LYS A 22 10.955 16.794 3.767 1.00 6.44 H new ATOM 0 HD2 LYS A 22 9.344 14.420 4.795 1.00 7.32 H new ATOM 0 HD3 LYS A 22 8.988 16.105 5.119 1.00 7.32 H new ATOM 0 HE2 LYS A 22 9.015 14.806 2.364 1.00 8.19 H new ATOM 0 HE3 LYS A 22 7.578 15.181 3.295 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 7.901 16.911 1.737 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 8.310 17.553 3.254 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 9.533 17.109 2.163 1.00 8.70 H new ATOM 381 N GLY A 23 13.111 12.670 1.909 1.00 4.88 N ATOM 382 CA GLY A 23 13.539 11.847 0.799 1.00 5.26 C ATOM 383 C GLY A 23 14.568 12.546 -0.062 1.00 5.25 C ATOM 384 O GLY A 23 14.703 13.769 -0.006 1.00 5.67 O ATOM 0 H GLY A 23 13.750 13.428 2.148 1.00 4.88 H new ATOM 0 HA2 GLY A 23 13.957 10.915 1.179 1.00 5.26 H new ATOM 0 HA3 GLY A 23 12.675 11.583 0.189 1.00 5.26 H new ATOM 388 N HIS A 24 15.305 11.774 -0.842 1.00 5.15 N ATOM 389 CA HIS A 24 16.279 12.328 -1.771 1.00 5.44 C ATOM 390 C HIS A 24 15.737 12.296 -3.191 1.00 4.99 C ATOM 391 O HIS A 24 14.608 11.863 -3.420 1.00 5.43 O ATOM 392 CB HIS A 24 17.604 11.563 -1.702 1.00 6.29 C ATOM 393 CG HIS A 24 18.595 12.144 -0.741 1.00 6.92 C ATOM 394 ND1 HIS A 24 19.954 11.935 -0.844 1.00 7.55 N ATOM 395 CD2 HIS A 24 18.422 12.923 0.353 1.00 7.35 C ATOM 396 CE1 HIS A 24 20.570 12.557 0.144 1.00 8.27 C ATOM 397 NE2 HIS A 24 19.663 13.166 0.884 1.00 8.17 N ATOM 0 H HIS A 24 15.248 10.756 -0.851 1.00 5.15 H new ATOM 0 HA HIS A 24 16.463 13.363 -1.483 1.00 5.44 H new ATOM 0 HB2 HIS A 24 17.401 10.530 -1.418 1.00 6.29 H new ATOM 0 HB3 HIS A 24 18.049 11.538 -2.697 1.00 6.29 H new ATOM 0 HD2 HIS A 24 17.480 13.286 0.737 1.00 7.35 H new ATOM 0 HE1 HIS A 24 21.636 12.566 0.317 1.00 8.27 H new ATOM 0 HE2 HIS A 24 19.854 13.726 1.715 1.00 8.17 H new ATOM 406 N PHE A 25 16.539 12.744 -4.142 1.00 4.48 N ATOM 407 CA PHE A 25 16.112 12.784 -5.531 1.00 4.32 C ATOM 408 C PHE A 25 16.532 11.511 -6.256 1.00 3.71 C ATOM 409 O PHE A 25 15.691 10.724 -6.696 1.00 3.95 O ATOM 410 CB PHE A 25 16.699 14.011 -6.230 1.00 4.90 C ATOM 411 CG PHE A 25 16.364 15.309 -5.552 1.00 5.62 C ATOM 412 CD1 PHE A 25 15.165 15.953 -5.807 1.00 6.16 C ATOM 413 CD2 PHE A 25 17.252 15.885 -4.657 1.00 6.16 C ATOM 414 CE1 PHE A 25 14.856 17.146 -5.183 1.00 7.08 C ATOM 415 CE2 PHE A 25 16.950 17.077 -4.030 1.00 7.09 C ATOM 416 CZ PHE A 25 15.751 17.709 -4.293 1.00 7.50 C ATOM 0 H PHE A 25 17.487 13.084 -3.979 1.00 4.48 H new ATOM 0 HA PHE A 25 15.024 12.853 -5.557 1.00 4.32 H new ATOM 0 HB2 PHE A 25 17.783 13.906 -6.280 1.00 4.90 H new ATOM 0 HB3 PHE A 25 16.334 14.043 -7.257 1.00 4.90 H new ATOM 0 HD1 PHE A 25 14.463 15.517 -6.502 1.00 6.16 H new ATOM 0 HD2 PHE A 25 18.192 15.395 -4.448 1.00 6.16 H new ATOM 0 HE1 PHE A 25 13.917 17.638 -5.390 1.00 7.08 H new ATOM 0 HE2 PHE A 25 17.651 17.515 -3.335 1.00 7.09 H new ATOM 0 HZ PHE A 25 15.513 18.642 -3.804 1.00 7.50 H new ATOM 426 N ASP A 26 17.838 11.304 -6.359 1.00 3.49 N ATOM 427 CA ASP A 26 18.375 10.140 -7.053 1.00 3.48 C ATOM 428 C ASP A 26 18.764 9.048 -6.061 1.00 3.05 C ATOM 429 O ASP A 26 18.893 7.881 -6.432 1.00 3.62 O ATOM 430 CB ASP A 26 19.592 10.530 -7.899 1.00 4.39 C ATOM 431 CG ASP A 26 20.815 10.849 -7.063 1.00 5.09 C ATOM 432 OD1 ASP A 26 20.950 12.005 -6.608 1.00 5.48 O ATOM 433 OD2 ASP A 26 21.649 9.946 -6.859 1.00 5.62 O ATOM 0 H ASP A 26 18.546 11.927 -5.971 1.00 3.49 H new ATOM 0 HA ASP A 26 17.596 9.754 -7.710 1.00 3.48 H new ATOM 0 HB2 ASP A 26 19.829 9.715 -8.583 1.00 4.39 H new ATOM 0 HB3 ASP A 26 19.340 11.397 -8.510 1.00 4.39 H new ATOM 438 N THR A 27 18.957 9.430 -4.803 1.00 2.55 N ATOM 439 CA THR A 27 19.329 8.475 -3.769 1.00 2.52 C ATOM 440 C THR A 27 18.106 7.688 -3.299 1.00 1.71 C ATOM 441 O THR A 27 17.556 7.954 -2.231 1.00 2.29 O ATOM 442 CB THR A 27 19.971 9.176 -2.557 1.00 3.34 C ATOM 443 OG1 THR A 27 20.824 10.240 -2.998 1.00 3.84 O ATOM 444 CG2 THR A 27 20.783 8.192 -1.726 1.00 3.94 C ATOM 0 H THR A 27 18.862 10.392 -4.477 1.00 2.55 H new ATOM 0 HA THR A 27 20.059 7.794 -4.208 1.00 2.52 H new ATOM 0 HB THR A 27 19.169 9.580 -1.939 1.00 3.34 H new ATOM 0 HG1 THR A 27 20.723 11.010 -2.400 1.00 3.84 H new ATOM 0 HG21 THR A 27 21.226 8.712 -0.876 1.00 3.94 H new ATOM 0 HG22 THR A 27 20.131 7.396 -1.365 1.00 3.94 H new ATOM 0 HG23 THR A 27 21.574 7.762 -2.341 1.00 3.94 H new ATOM 452 N LEU A 28 17.681 6.745 -4.122 1.00 1.14 N ATOM 453 CA LEU A 28 16.536 5.893 -3.822 1.00 0.90 C ATOM 454 C LEU A 28 16.779 4.506 -4.401 1.00 0.71 C ATOM 455 O LEU A 28 16.080 4.073 -5.305 1.00 0.76 O ATOM 456 CB LEU A 28 15.257 6.485 -4.434 1.00 1.66 C ATOM 457 CG LEU A 28 14.805 7.831 -3.864 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.726 8.444 -4.741 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.288 7.661 -2.446 1.00 2.37 C ATOM 0 H LEU A 28 18.120 6.546 -5.021 1.00 1.14 H new ATOM 0 HA LEU A 28 16.413 5.829 -2.741 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.410 6.600 -5.507 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.448 5.766 -4.302 1.00 1.66 H new ATOM 0 HG LEU A 28 15.665 8.501 -3.846 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.416 9.401 -4.321 1.00 2.91 H new ATOM 0 HD12 LEU A 28 14.118 8.599 -5.746 1.00 2.91 H new ATOM 0 HD13 LEU A 28 12.869 7.773 -4.786 1.00 2.91 H new ATOM 0 HD21 LEU A 28 13.971 8.628 -2.056 1.00 2.37 H new ATOM 0 HD22 LEU A 28 13.441 6.975 -2.447 1.00 2.37 H new ATOM 0 HD23 LEU A 28 15.081 7.258 -1.816 1.00 2.37 H new ATOM 471 N SER A 29 17.785 3.815 -3.898 1.00 0.61 N ATOM 472 CA SER A 29 18.215 2.578 -4.530 1.00 0.49 C ATOM 473 C SER A 29 17.749 1.330 -3.773 1.00 0.44 C ATOM 474 O SER A 29 16.981 1.418 -2.814 1.00 0.53 O ATOM 475 CB SER A 29 19.727 2.584 -4.692 1.00 0.55 C ATOM 476 OG SER A 29 20.165 3.810 -5.257 1.00 1.35 O ATOM 0 H SER A 29 18.313 4.082 -3.067 1.00 0.61 H new ATOM 0 HA SER A 29 17.744 2.530 -5.512 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.202 2.434 -3.723 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.033 1.754 -5.329 1.00 0.55 H new ATOM 0 HG SER A 29 21.140 3.796 -5.352 1.00 1.35 H new ATOM 482 N LYS A 30 18.232 0.169 -4.209 1.00 0.38 N ATOM 483 CA LYS A 30 17.786 -1.113 -3.669 1.00 0.36 C ATOM 484 C LYS A 30 18.388 -1.380 -2.293 1.00 0.36 C ATOM 485 O LYS A 30 17.823 -2.130 -1.509 1.00 0.37 O ATOM 486 CB LYS A 30 18.183 -2.244 -4.618 1.00 0.39 C ATOM 487 CG LYS A 30 17.502 -3.577 -4.324 1.00 0.41 C ATOM 488 CD LYS A 30 18.219 -4.732 -5.009 1.00 0.50 C ATOM 489 CE LYS A 30 18.609 -4.376 -6.436 1.00 0.52 C ATOM 490 NZ LYS A 30 19.229 -5.503 -7.175 1.00 1.32 N ATOM 0 H LYS A 30 18.938 0.090 -4.941 1.00 0.38 H new ATOM 0 HA LYS A 30 16.701 -1.071 -3.569 1.00 0.36 H new ATOM 0 HB2 LYS A 30 17.946 -1.946 -5.639 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.263 -2.382 -4.568 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.482 -3.747 -3.248 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.466 -3.540 -4.660 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.111 -4.996 -4.442 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.574 -5.610 -5.015 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.722 -4.042 -6.975 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.305 -3.537 -6.416 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.223 -5.295 -8.194 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.210 -5.631 -6.854 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 18.689 -6.374 -6.996 1.00 1.32 H new ATOM 504 N GLY A 31 19.534 -0.773 -2.010 1.00 0.39 N ATOM 505 CA GLY A 31 20.230 -1.030 -0.758 1.00 0.40 C ATOM 506 C GLY A 31 19.390 -0.722 0.463 1.00 0.38 C ATOM 507 O GLY A 31 19.132 -1.592 1.296 1.00 0.39 O ATOM 0 H GLY A 31 19.997 -0.105 -2.626 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.535 -2.076 -0.727 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.140 -0.431 -0.726 1.00 0.40 H new ATOM 511 N GLU A 32 18.956 0.519 0.554 1.00 0.44 N ATOM 512 CA GLU A 32 18.120 0.977 1.657 1.00 0.50 C ATOM 513 C GLU A 32 16.785 0.252 1.673 1.00 0.42 C ATOM 514 O GLU A 32 16.254 -0.079 2.737 1.00 0.44 O ATOM 515 CB GLU A 32 17.908 2.476 1.534 1.00 0.67 C ATOM 516 CG GLU A 32 17.461 2.904 0.150 1.00 0.96 C ATOM 517 CD GLU A 32 17.799 4.346 -0.149 1.00 1.58 C ATOM 518 OE1 GLU A 32 17.169 5.241 0.445 1.00 2.44 O ATOM 519 OE2 GLU A 32 18.714 4.582 -0.973 1.00 2.10 O ATOM 0 H GLU A 32 19.170 1.242 -0.132 1.00 0.44 H new ATOM 0 HA GLU A 32 18.625 0.755 2.597 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.162 2.792 2.264 1.00 0.67 H new ATOM 0 HB3 GLU A 32 18.836 2.990 1.784 1.00 0.67 H new ATOM 0 HG2 GLU A 32 17.932 2.262 -0.595 1.00 0.96 H new ATOM 0 HG3 GLU A 32 16.384 2.761 0.059 1.00 0.96 H new ATOM 526 N LEU A 33 16.257 0.017 0.483 1.00 0.38 N ATOM 527 CA LEU A 33 15.042 -0.742 0.303 1.00 0.34 C ATOM 528 C LEU A 33 15.191 -2.096 0.966 1.00 0.29 C ATOM 529 O LEU A 33 14.359 -2.508 1.756 1.00 0.32 O ATOM 530 CB LEU A 33 14.799 -0.925 -1.189 1.00 0.34 C ATOM 531 CG LEU A 33 13.390 -1.344 -1.579 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.414 -0.221 -1.276 1.00 0.52 C ATOM 533 CD2 LEU A 33 13.344 -1.730 -3.048 1.00 0.46 C ATOM 0 H LEU A 33 16.667 0.353 -0.389 1.00 0.38 H new ATOM 0 HA LEU A 33 14.201 -0.215 0.753 1.00 0.34 H new ATOM 0 HB2 LEU A 33 15.033 0.012 -1.695 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.498 -1.673 -1.564 1.00 0.34 H new ATOM 0 HG LEU A 33 13.100 -2.216 -0.994 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.407 -0.528 -1.558 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.439 0.005 -0.210 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.694 0.667 -1.842 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.330 -2.028 -3.314 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.644 -0.878 -3.658 1.00 0.46 H new ATOM 0 HD23 LEU A 33 14.025 -2.562 -3.227 1.00 0.46 H new ATOM 545 N LYS A 34 16.290 -2.748 0.644 1.00 0.29 N ATOM 546 CA LYS A 34 16.625 -4.060 1.161 1.00 0.31 C ATOM 547 C LYS A 34 16.644 -4.070 2.685 1.00 0.35 C ATOM 548 O LYS A 34 16.072 -4.962 3.309 1.00 0.41 O ATOM 549 CB LYS A 34 17.979 -4.462 0.587 1.00 0.34 C ATOM 550 CG LYS A 34 18.560 -5.744 1.161 1.00 0.53 C ATOM 551 CD LYS A 34 19.845 -6.131 0.446 1.00 0.85 C ATOM 552 CE LYS A 34 20.422 -7.430 0.987 1.00 1.30 C ATOM 553 NZ LYS A 34 20.814 -7.318 2.418 1.00 1.87 N ATOM 0 H LYS A 34 16.989 -2.373 0.003 1.00 0.29 H new ATOM 0 HA LYS A 34 15.865 -4.781 0.858 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.881 -4.576 -0.493 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.686 -3.650 0.759 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.758 -5.613 2.225 1.00 0.53 H new ATOM 0 HG3 LYS A 34 17.832 -6.550 1.069 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.650 -6.236 -0.621 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.578 -5.333 0.559 1.00 0.85 H new ATOM 0 HE2 LYS A 34 19.687 -8.227 0.875 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.292 -7.714 0.395 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.339 -8.170 2.702 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.417 -6.481 2.548 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 19.961 -7.225 3.005 1.00 1.87 H new ATOM 567 N GLN A 35 17.293 -3.076 3.282 1.00 0.35 N ATOM 568 CA GLN A 35 17.278 -2.933 4.733 1.00 0.43 C ATOM 569 C GLN A 35 15.852 -2.844 5.235 1.00 0.43 C ATOM 570 O GLN A 35 15.410 -3.706 5.988 1.00 0.50 O ATOM 571 CB GLN A 35 18.071 -1.708 5.185 1.00 0.50 C ATOM 572 CG GLN A 35 19.530 -2.005 5.484 1.00 1.07 C ATOM 573 CD GLN A 35 20.333 -2.364 4.251 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.916 -1.496 3.604 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.380 -3.644 3.924 1.00 2.07 N ATOM 0 H GLN A 35 17.831 -2.364 2.789 1.00 0.35 H new ATOM 0 HA GLN A 35 17.755 -3.816 5.159 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.016 -0.944 4.410 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.603 -1.292 6.077 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.980 -1.135 5.962 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.587 -2.826 6.198 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.882 -4.333 4.488 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.914 -3.943 3.108 1.00 2.07 H new ATOM 584 N LEU A 36 15.131 -1.828 4.771 1.00 0.38 N ATOM 585 CA LEU A 36 13.750 -1.598 5.169 1.00 0.39 C ATOM 586 C LEU A 36 12.935 -2.878 5.052 1.00 0.38 C ATOM 587 O LEU A 36 12.262 -3.280 5.979 1.00 0.45 O ATOM 588 CB LEU A 36 13.153 -0.501 4.285 1.00 0.36 C ATOM 589 CG LEU A 36 11.718 -0.090 4.598 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.505 1.357 4.207 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.725 -0.973 3.859 1.00 0.40 C ATOM 0 H LEU A 36 15.490 -1.141 4.108 1.00 0.38 H new ATOM 0 HA LEU A 36 13.724 -1.281 6.212 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.787 0.383 4.361 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.195 -0.836 3.248 1.00 0.36 H new ATOM 0 HG LEU A 36 11.552 -0.209 5.669 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.479 1.647 4.432 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.193 1.990 4.768 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.690 1.476 3.140 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.709 -0.659 4.100 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.888 -0.884 2.785 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.865 -2.011 4.162 1.00 0.40 H new ATOM 603 N LEU A 37 13.020 -3.514 3.911 1.00 0.34 N ATOM 604 CA LEU A 37 12.278 -4.732 3.648 1.00 0.35 C ATOM 605 C LEU A 37 12.634 -5.849 4.621 1.00 0.41 C ATOM 606 O LEU A 37 11.753 -6.457 5.224 1.00 0.45 O ATOM 607 CB LEU A 37 12.547 -5.178 2.222 1.00 0.34 C ATOM 608 CG LEU A 37 12.101 -4.179 1.159 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.497 -4.654 -0.228 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.604 -3.953 1.259 1.00 0.32 C ATOM 0 H LEU A 37 13.605 -3.206 3.134 1.00 0.34 H new ATOM 0 HA LEU A 37 11.218 -4.517 3.785 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.615 -5.362 2.106 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.040 -6.127 2.048 1.00 0.34 H new ATOM 0 HG LEU A 37 12.604 -3.228 1.334 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.169 -3.926 -0.970 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.580 -4.762 -0.280 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.027 -5.616 -0.431 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.292 -3.239 0.497 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.082 -4.898 1.106 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.360 -3.560 2.246 1.00 0.32 H new ATOM 622 N THR A 38 13.922 -6.101 4.787 1.00 0.45 N ATOM 623 CA THR A 38 14.373 -7.223 5.590 1.00 0.53 C ATOM 624 C THR A 38 14.112 -7.005 7.078 1.00 0.59 C ATOM 625 O THR A 38 13.967 -7.963 7.830 1.00 0.66 O ATOM 626 CB THR A 38 15.872 -7.510 5.370 1.00 0.55 C ATOM 627 OG1 THR A 38 16.651 -6.334 5.635 1.00 1.23 O ATOM 628 CG2 THR A 38 16.131 -7.976 3.948 1.00 1.03 C ATOM 0 H THR A 38 14.672 -5.544 4.377 1.00 0.45 H new ATOM 0 HA THR A 38 13.793 -8.085 5.260 1.00 0.53 H new ATOM 0 HB THR A 38 16.165 -8.301 6.060 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.590 -5.722 4.872 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.195 -8.172 3.817 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.568 -8.889 3.756 1.00 1.03 H new ATOM 0 HG23 THR A 38 15.816 -7.202 3.248 1.00 1.03 H new ATOM 636 N LYS A 39 14.080 -5.750 7.508 1.00 0.58 N ATOM 637 CA LYS A 39 13.867 -5.448 8.918 1.00 0.66 C ATOM 638 C LYS A 39 12.408 -5.103 9.235 1.00 0.64 C ATOM 639 O LYS A 39 11.929 -5.385 10.332 1.00 0.72 O ATOM 640 CB LYS A 39 14.794 -4.318 9.366 1.00 0.72 C ATOM 641 CG LYS A 39 14.540 -3.007 8.650 1.00 0.68 C ATOM 642 CD LYS A 39 15.738 -2.077 8.730 1.00 0.73 C ATOM 643 CE LYS A 39 16.043 -1.681 10.163 1.00 0.87 C ATOM 644 NZ LYS A 39 14.911 -0.938 10.784 1.00 1.61 N ATOM 0 H LYS A 39 14.197 -4.933 6.909 1.00 0.58 H new ATOM 0 HA LYS A 39 14.106 -6.353 9.477 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.676 -4.166 10.439 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.828 -4.619 9.199 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.303 -3.204 7.605 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.670 -2.517 9.087 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.609 -2.566 8.294 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.545 -1.182 8.138 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.257 -2.575 10.749 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.940 -1.062 10.186 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.143 -0.714 11.773 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.745 -0.056 10.259 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.053 -1.525 10.754 1.00 1.61 H new ATOM 658 N GLU A 40 11.702 -4.505 8.281 1.00 0.57 N ATOM 659 CA GLU A 40 10.361 -3.985 8.540 1.00 0.58 C ATOM 660 C GLU A 40 9.287 -4.934 8.013 1.00 0.56 C ATOM 661 O GLU A 40 8.257 -5.141 8.655 1.00 0.64 O ATOM 662 CB GLU A 40 10.185 -2.597 7.903 1.00 0.58 C ATOM 663 CG GLU A 40 11.181 -1.547 8.380 1.00 0.87 C ATOM 664 CD GLU A 40 11.189 -1.355 9.885 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.120 -1.060 10.464 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.275 -1.459 10.497 1.00 1.63 O ATOM 0 H GLU A 40 12.032 -4.368 7.326 1.00 0.57 H new ATOM 0 HA GLU A 40 10.246 -3.899 9.621 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.272 -2.695 6.821 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.176 -2.242 8.111 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.181 -1.832 8.053 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.949 -0.595 7.902 1.00 0.87 H new ATOM 673 N LEU A 41 9.535 -5.515 6.843 1.00 0.50 N ATOM 674 CA LEU A 41 8.572 -6.413 6.207 1.00 0.49 C ATOM 675 C LEU A 41 9.060 -7.851 6.316 1.00 0.52 C ATOM 676 O LEU A 41 8.635 -8.726 5.557 1.00 0.53 O ATOM 677 CB LEU A 41 8.361 -6.049 4.724 1.00 0.43 C ATOM 678 CG LEU A 41 7.574 -4.760 4.440 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.328 -3.526 4.907 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.265 -4.652 2.956 1.00 1.42 C ATOM 0 H LEU A 41 10.396 -5.381 6.314 1.00 0.50 H new ATOM 0 HA LEU A 41 7.618 -6.306 6.723 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.339 -5.963 4.251 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.845 -6.878 4.239 1.00 0.43 H new ATOM 0 HG LEU A 41 6.641 -4.811 5.001 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.739 -2.635 4.689 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.503 -3.591 5.981 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.284 -3.465 4.387 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.707 -3.735 2.766 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.197 -4.633 2.391 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.669 -5.510 2.645 1.00 1.42 H new ATOM 692 N ALA A 42 9.950 -8.073 7.281 1.00 0.58 N ATOM 693 CA ALA A 42 10.595 -9.371 7.496 1.00 0.64 C ATOM 694 C ALA A 42 9.593 -10.512 7.622 1.00 0.71 C ATOM 695 O ALA A 42 9.885 -11.648 7.248 1.00 0.78 O ATOM 696 CB ALA A 42 11.458 -9.318 8.744 1.00 0.71 C ATOM 0 H ALA A 42 10.247 -7.354 7.941 1.00 0.58 H new ATOM 0 HA ALA A 42 11.209 -9.570 6.617 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.935 -10.286 8.898 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.224 -8.551 8.625 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.836 -9.078 9.607 1.00 0.71 H new ATOM 702 N ASN A 43 8.420 -10.208 8.144 1.00 0.74 N ATOM 703 CA ASN A 43 7.434 -11.235 8.438 1.00 0.83 C ATOM 704 C ASN A 43 6.178 -11.064 7.582 1.00 0.83 C ATOM 705 O ASN A 43 5.084 -11.474 7.971 1.00 1.07 O ATOM 706 CB ASN A 43 7.073 -11.180 9.925 1.00 0.99 C ATOM 707 CG ASN A 43 6.335 -12.415 10.406 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.595 -13.529 9.949 1.00 1.56 O ATOM 709 ND2 ASN A 43 5.401 -12.225 11.324 1.00 2.16 N ATOM 0 H ASN A 43 8.125 -9.259 8.374 1.00 0.74 H new ATOM 0 HA ASN A 43 7.865 -12.207 8.200 1.00 0.83 H new ATOM 0 HB2 ASN A 43 7.985 -11.059 10.510 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.456 -10.301 10.110 1.00 0.99 H new ATOM 0 HD21 ASN A 43 4.866 -13.018 11.679 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.216 -11.286 11.677 1.00 2.16 H new ATOM 716 N THR A 44 6.322 -10.450 6.416 1.00 0.65 N ATOM 717 CA THR A 44 5.188 -10.302 5.519 1.00 0.61 C ATOM 718 C THR A 44 5.460 -11.008 4.204 1.00 0.59 C ATOM 719 O THR A 44 4.804 -11.985 3.858 1.00 0.66 O ATOM 720 CB THR A 44 4.870 -8.827 5.224 1.00 0.56 C ATOM 721 OG1 THR A 44 5.019 -8.044 6.412 1.00 0.65 O ATOM 722 CG2 THR A 44 3.447 -8.692 4.699 1.00 0.53 C ATOM 0 H THR A 44 7.197 -10.053 6.074 1.00 0.65 H new ATOM 0 HA THR A 44 4.330 -10.749 6.022 1.00 0.61 H new ATOM 0 HB THR A 44 5.566 -8.466 4.467 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.581 -7.264 6.221 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.233 -7.643 4.494 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.341 -9.270 3.781 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.747 -9.066 5.446 1.00 0.53 H new ATOM 730 N ILE A 45 6.458 -10.515 3.495 1.00 0.52 N ATOM 731 CA ILE A 45 6.810 -11.042 2.193 1.00 0.52 C ATOM 732 C ILE A 45 7.671 -12.292 2.351 1.00 0.59 C ATOM 733 O ILE A 45 8.617 -12.295 3.141 1.00 0.60 O ATOM 734 CB ILE A 45 7.579 -9.982 1.386 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.777 -8.675 1.322 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.890 -10.496 -0.014 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.461 -7.578 0.533 1.00 0.36 C ATOM 0 H ILE A 45 7.045 -9.741 3.805 1.00 0.52 H new ATOM 0 HA ILE A 45 5.895 -11.303 1.660 1.00 0.52 H new ATOM 0 HB ILE A 45 8.524 -9.780 1.890 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.803 -8.878 0.876 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.595 -8.321 2.337 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.434 -9.732 -0.569 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.499 -11.397 0.056 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.959 -10.727 -0.532 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.835 -6.686 0.532 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.423 -7.346 0.991 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.619 -7.912 -0.493 1.00 0.36 H new ATOM 749 N LYS A 46 7.327 -13.356 1.617 1.00 0.67 N ATOM 750 CA LYS A 46 8.059 -14.611 1.708 1.00 0.73 C ATOM 751 C LYS A 46 9.534 -14.387 1.453 1.00 0.68 C ATOM 752 O LYS A 46 9.919 -13.818 0.428 1.00 0.63 O ATOM 753 CB LYS A 46 7.497 -15.673 0.741 1.00 0.82 C ATOM 754 CG LYS A 46 7.848 -15.496 -0.735 1.00 0.79 C ATOM 755 CD LYS A 46 9.157 -16.200 -1.088 1.00 0.75 C ATOM 756 CE LYS A 46 9.454 -16.106 -2.573 1.00 0.88 C ATOM 757 NZ LYS A 46 9.387 -14.706 -3.068 1.00 1.61 N ATOM 0 H LYS A 46 6.549 -13.367 0.958 1.00 0.67 H new ATOM 0 HA LYS A 46 7.932 -14.991 2.722 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.853 -16.652 1.063 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.411 -15.682 0.836 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.042 -15.894 -1.352 1.00 0.79 H new ATOM 0 HG3 LYS A 46 7.931 -14.434 -0.965 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.975 -15.754 -0.523 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.099 -17.248 -0.793 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.446 -16.513 -2.771 1.00 0.88 H new ATOM 0 HE3 LYS A 46 8.742 -16.720 -3.124 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.043 -14.588 -3.867 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.418 -14.495 -3.381 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 9.653 -14.054 -2.303 1.00 1.61 H new ATOM 771 N ASN A 47 10.345 -14.808 2.413 1.00 0.71 N ATOM 772 CA ASN A 47 11.791 -14.736 2.295 1.00 0.67 C ATOM 773 C ASN A 47 12.246 -13.361 1.841 1.00 0.59 C ATOM 774 O ASN A 47 13.118 -13.246 0.987 1.00 0.57 O ATOM 775 CB ASN A 47 12.310 -15.791 1.317 1.00 0.69 C ATOM 776 CG ASN A 47 12.365 -17.181 1.915 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.511 -17.569 2.712 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.392 -17.934 1.554 1.00 1.24 N ATOM 0 H ASN A 47 10.019 -15.208 3.293 1.00 0.71 H new ATOM 0 HA ASN A 47 12.203 -14.928 3.286 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.669 -15.807 0.435 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.307 -15.507 0.981 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.497 -18.873 1.939 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.079 -17.576 0.890 1.00 1.24 H new ATOM 785 N ILE A 48 11.661 -12.315 2.418 1.00 0.55 N ATOM 786 CA ILE A 48 12.045 -10.944 2.084 1.00 0.48 C ATOM 787 C ILE A 48 13.510 -10.704 2.444 1.00 0.48 C ATOM 788 O ILE A 48 14.106 -9.688 2.100 1.00 0.43 O ATOM 789 CB ILE A 48 11.154 -9.915 2.810 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.399 -8.501 2.275 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.401 -9.960 4.307 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.164 -8.366 0.789 1.00 0.38 C ATOM 0 H ILE A 48 10.922 -12.388 3.117 1.00 0.55 H new ATOM 0 HA ILE A 48 11.908 -10.814 1.010 1.00 0.48 H new ATOM 0 HB ILE A 48 10.114 -10.177 2.618 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.747 -7.804 2.802 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.425 -8.209 2.500 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.764 -9.228 4.803 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.170 -10.956 4.684 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.447 -9.728 4.510 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.357 -7.338 0.482 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.835 -9.037 0.252 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.131 -8.626 0.559 1.00 0.38 H new ATOM 804 N LYS A 49 14.077 -11.669 3.138 1.00 0.56 N ATOM 805 CA LYS A 49 15.468 -11.630 3.532 1.00 0.57 C ATOM 806 C LYS A 49 16.354 -12.026 2.359 1.00 0.55 C ATOM 807 O LYS A 49 17.569 -11.829 2.384 1.00 0.56 O ATOM 808 CB LYS A 49 15.686 -12.575 4.707 1.00 0.65 C ATOM 809 CG LYS A 49 14.664 -12.384 5.818 1.00 0.73 C ATOM 810 CD LYS A 49 14.686 -10.973 6.400 1.00 0.72 C ATOM 811 CE LYS A 49 15.618 -10.848 7.600 1.00 0.82 C ATOM 812 NZ LYS A 49 17.036 -11.150 7.267 1.00 1.11 N ATOM 0 H LYS A 49 13.582 -12.506 3.446 1.00 0.56 H new ATOM 0 HA LYS A 49 15.732 -10.617 3.835 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.641 -13.605 4.352 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.687 -12.420 5.110 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.668 -12.598 5.431 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.858 -13.104 6.613 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.998 -10.270 5.628 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.676 -10.691 6.698 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.552 -9.837 8.001 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.283 -11.525 8.386 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.656 -10.765 8.008 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.167 -12.180 7.206 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.278 -10.716 6.353 1.00 1.11 H new ATOM 826 N ASP A 50 15.729 -12.581 1.329 1.00 0.55 N ATOM 827 CA ASP A 50 16.444 -13.000 0.136 1.00 0.56 C ATOM 828 C ASP A 50 16.570 -11.864 -0.850 1.00 0.50 C ATOM 829 O ASP A 50 15.588 -11.227 -1.225 1.00 0.47 O ATOM 830 CB ASP A 50 15.757 -14.185 -0.539 1.00 0.62 C ATOM 831 CG ASP A 50 16.301 -15.518 -0.076 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.502 -15.785 -0.299 1.00 1.57 O ATOM 833 OD2 ASP A 50 15.533 -16.314 0.503 1.00 1.58 O ATOM 0 H ASP A 50 14.724 -12.751 1.298 1.00 0.55 H new ATOM 0 HA ASP A 50 17.440 -13.307 0.454 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.687 -14.144 -0.335 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.879 -14.103 -1.619 1.00 0.62 H new ATOM 838 N LYS A 51 17.797 -11.632 -1.271 1.00 0.50 N ATOM 839 CA LYS A 51 18.108 -10.623 -2.266 1.00 0.48 C ATOM 840 C LYS A 51 17.466 -10.969 -3.602 1.00 0.50 C ATOM 841 O LYS A 51 17.199 -10.089 -4.405 1.00 0.48 O ATOM 842 CB LYS A 51 19.621 -10.517 -2.395 1.00 0.53 C ATOM 843 CG LYS A 51 20.135 -9.709 -3.583 1.00 0.83 C ATOM 844 CD LYS A 51 19.590 -8.287 -3.631 1.00 0.60 C ATOM 845 CE LYS A 51 20.372 -7.445 -4.639 1.00 0.83 C ATOM 846 NZ LYS A 51 20.643 -8.189 -5.899 1.00 0.92 N ATOM 0 H LYS A 51 18.613 -12.141 -0.931 1.00 0.50 H new ATOM 0 HA LYS A 51 17.704 -9.660 -1.954 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.014 -10.072 -1.481 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.032 -11.524 -2.461 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.224 -9.671 -3.543 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.867 -10.224 -4.506 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.535 -8.305 -3.905 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.655 -7.833 -2.642 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.810 -6.539 -4.867 1.00 0.83 H new ATOM 0 HE3 LYS A 51 21.316 -7.131 -4.194 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.130 -7.565 -6.573 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.244 -9.013 -5.693 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 19.744 -8.511 -6.312 1.00 0.92 H new ATOM 860 N ALA A 52 17.205 -12.249 -3.829 1.00 0.55 N ATOM 861 CA ALA A 52 16.507 -12.669 -5.035 1.00 0.60 C ATOM 862 C ALA A 52 15.041 -12.306 -4.922 1.00 0.58 C ATOM 863 O ALA A 52 14.392 -11.961 -5.906 1.00 0.60 O ATOM 864 CB ALA A 52 16.656 -14.162 -5.259 1.00 0.67 C ATOM 0 H ALA A 52 17.464 -13.009 -3.199 1.00 0.55 H new ATOM 0 HA ALA A 52 16.948 -12.154 -5.889 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.125 -14.449 -6.167 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.712 -14.411 -5.363 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.238 -14.701 -4.409 1.00 0.67 H new ATOM 870 N VAL A 53 14.541 -12.358 -3.696 1.00 0.54 N ATOM 871 CA VAL A 53 13.152 -12.018 -3.419 1.00 0.53 C ATOM 872 C VAL A 53 12.982 -10.516 -3.522 1.00 0.47 C ATOM 873 O VAL A 53 12.041 -10.017 -4.137 1.00 0.48 O ATOM 874 CB VAL A 53 12.728 -12.508 -2.015 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.413 -11.884 -1.565 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.611 -14.022 -1.998 1.00 0.60 C ATOM 0 H VAL A 53 15.078 -12.633 -2.874 1.00 0.54 H new ATOM 0 HA VAL A 53 12.514 -12.514 -4.150 1.00 0.53 H new ATOM 0 HB VAL A 53 13.503 -12.193 -1.316 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.154 -12.257 -0.574 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.518 -10.800 -1.529 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.625 -12.149 -2.270 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.312 -14.353 -1.003 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.863 -14.337 -2.725 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.574 -14.464 -2.253 1.00 0.60 H new ATOM 886 N ILE A 54 13.929 -9.809 -2.935 1.00 0.42 N ATOM 887 CA ILE A 54 13.970 -8.360 -3.008 1.00 0.36 C ATOM 888 C ILE A 54 14.187 -7.884 -4.433 1.00 0.38 C ATOM 889 O ILE A 54 13.620 -6.880 -4.856 1.00 0.38 O ATOM 890 CB ILE A 54 15.094 -7.826 -2.127 1.00 0.35 C ATOM 891 CG1 ILE A 54 14.792 -8.185 -0.682 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.263 -6.318 -2.299 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.860 -7.740 0.276 1.00 0.38 C ATOM 0 H ILE A 54 14.690 -10.221 -2.395 1.00 0.42 H new ATOM 0 HA ILE A 54 13.009 -7.983 -2.658 1.00 0.36 H new ATOM 0 HB ILE A 54 16.037 -8.284 -2.425 1.00 0.35 H new ATOM 0 HG12 ILE A 54 13.843 -7.733 -0.393 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.668 -9.265 -0.601 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.072 -5.967 -1.658 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.501 -6.095 -3.339 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.337 -5.814 -2.023 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.582 -8.027 1.290 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.806 -8.212 0.011 1.00 0.38 H new ATOM 0 HD13 ILE A 54 15.968 -6.657 0.223 1.00 0.38 H new ATOM 905 N ASP A 55 15.009 -8.616 -5.166 1.00 0.43 N ATOM 906 CA ASP A 55 15.340 -8.263 -6.537 1.00 0.47 C ATOM 907 C ASP A 55 14.088 -8.320 -7.379 1.00 0.48 C ATOM 908 O ASP A 55 13.817 -7.430 -8.175 1.00 0.49 O ATOM 909 CB ASP A 55 16.381 -9.227 -7.094 1.00 0.55 C ATOM 910 CG ASP A 55 17.446 -8.520 -7.899 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.379 -7.959 -7.286 1.00 1.53 O ATOM 912 OD2 ASP A 55 17.366 -8.520 -9.143 1.00 1.44 O ATOM 0 H ASP A 55 15.463 -9.466 -4.831 1.00 0.43 H new ATOM 0 HA ASP A 55 15.753 -7.255 -6.559 1.00 0.47 H new ATOM 0 HB2 ASP A 55 16.850 -9.767 -6.271 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.887 -9.969 -7.722 1.00 0.55 H new ATOM 917 N GLU A 56 13.326 -9.376 -7.161 1.00 0.51 N ATOM 918 CA GLU A 56 12.039 -9.564 -7.801 1.00 0.54 C ATOM 919 C GLU A 56 11.130 -8.358 -7.577 1.00 0.47 C ATOM 920 O GLU A 56 10.500 -7.859 -8.512 1.00 0.49 O ATOM 921 CB GLU A 56 11.395 -10.826 -7.239 1.00 0.58 C ATOM 922 CG GLU A 56 11.967 -12.114 -7.812 1.00 0.69 C ATOM 923 CD GLU A 56 11.774 -12.220 -9.311 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.705 -12.701 -9.744 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.690 -11.825 -10.067 1.00 1.66 O ATOM 0 H GLU A 56 13.586 -10.133 -6.529 1.00 0.51 H new ATOM 0 HA GLU A 56 12.185 -9.667 -8.876 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.519 -10.835 -6.156 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.324 -10.795 -7.437 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.031 -12.169 -7.581 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.491 -12.966 -7.327 1.00 0.69 H new ATOM 932 N ILE A 57 11.081 -7.881 -6.338 1.00 0.42 N ATOM 933 CA ILE A 57 10.249 -6.742 -5.994 1.00 0.39 C ATOM 934 C ILE A 57 10.793 -5.475 -6.635 1.00 0.36 C ATOM 935 O ILE A 57 10.098 -4.805 -7.390 1.00 0.37 O ATOM 936 CB ILE A 57 10.207 -6.544 -4.479 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.813 -7.845 -3.783 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.238 -5.431 -4.125 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.761 -7.736 -2.280 1.00 1.00 C ATOM 0 H ILE A 57 11.610 -8.269 -5.557 1.00 0.42 H new ATOM 0 HA ILE A 57 9.243 -6.940 -6.364 1.00 0.39 H new ATOM 0 HB ILE A 57 11.201 -6.260 -4.133 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.837 -8.162 -4.150 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.525 -8.624 -4.058 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.216 -5.298 -3.043 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.561 -4.503 -4.598 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.240 -5.691 -4.479 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.475 -8.698 -1.855 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.742 -7.450 -1.902 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.028 -6.981 -1.995 1.00 1.00 H new ATOM 951 N PHE A 58 12.051 -5.178 -6.329 1.00 0.35 N ATOM 952 CA PHE A 58 12.742 -4.009 -6.855 1.00 0.36 C ATOM 953 C PHE A 58 12.575 -3.905 -8.366 1.00 0.41 C ATOM 954 O PHE A 58 12.237 -2.847 -8.889 1.00 0.44 O ATOM 955 CB PHE A 58 14.230 -4.085 -6.480 1.00 0.38 C ATOM 956 CG PHE A 58 15.147 -3.382 -7.441 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.345 -2.014 -7.366 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.808 -4.099 -8.424 1.00 1.52 C ATOM 959 CE1 PHE A 58 16.184 -1.377 -8.259 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.646 -3.468 -9.316 1.00 1.68 C ATOM 961 CZ PHE A 58 16.835 -2.108 -9.236 1.00 0.93 C ATOM 0 H PHE A 58 12.623 -5.746 -5.704 1.00 0.35 H new ATOM 0 HA PHE A 58 12.303 -3.114 -6.414 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.365 -3.655 -5.487 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.524 -5.133 -6.417 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.839 -1.440 -6.603 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.664 -5.167 -8.492 1.00 1.52 H new ATOM 0 HE1 PHE A 58 16.332 -0.309 -8.194 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.154 -4.040 -10.078 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.491 -1.611 -9.935 1.00 0.93 H new ATOM 971 N GLN A 59 12.792 -5.016 -9.051 1.00 0.45 N ATOM 972 CA GLN A 59 12.679 -5.060 -10.502 1.00 0.52 C ATOM 973 C GLN A 59 11.248 -4.793 -10.944 1.00 0.52 C ATOM 974 O GLN A 59 11.014 -4.224 -12.009 1.00 0.57 O ATOM 975 CB GLN A 59 13.131 -6.423 -11.028 1.00 0.58 C ATOM 976 CG GLN A 59 14.639 -6.627 -11.033 1.00 0.61 C ATOM 977 CD GLN A 59 15.370 -5.705 -11.992 1.00 1.10 C ATOM 978 OE1 GLN A 59 14.723 -5.336 -13.087 1.00 1.92 O flip ATOM 979 NE2 GLN A 59 16.521 -5.339 -11.756 1.00 1.63 N flip ATOM 0 H GLN A 59 13.049 -5.906 -8.623 1.00 0.45 H new ATOM 0 HA GLN A 59 13.323 -4.282 -10.913 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.673 -7.203 -10.420 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.756 -6.549 -12.044 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.023 -6.469 -10.025 1.00 0.61 H new ATOM 0 HG3 GLN A 59 14.857 -7.661 -11.298 1.00 0.61 H new ATOM 0 HE21 GLN A 59 16.988 -5.643 -10.902 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.008 -4.731 -12.415 1.00 1.63 H new ATOM 988 N GLY A 60 10.295 -5.206 -10.117 1.00 0.48 N ATOM 989 CA GLY A 60 8.895 -5.000 -10.433 1.00 0.49 C ATOM 990 C GLY A 60 8.483 -3.546 -10.306 1.00 0.47 C ATOM 991 O GLY A 60 7.494 -3.118 -10.904 1.00 0.53 O ATOM 0 H GLY A 60 10.468 -5.681 -9.231 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.700 -5.343 -11.449 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.282 -5.608 -9.768 1.00 0.49 H new ATOM 995 N LEU A 61 9.239 -2.784 -9.527 1.00 0.42 N ATOM 996 CA LEU A 61 8.955 -1.369 -9.342 1.00 0.44 C ATOM 997 C LEU A 61 9.814 -0.549 -10.283 1.00 0.51 C ATOM 998 O LEU A 61 9.329 0.372 -10.939 1.00 0.58 O ATOM 999 CB LEU A 61 9.219 -0.936 -7.895 1.00 0.39 C ATOM 1000 CG LEU A 61 9.273 -2.074 -6.886 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.869 -1.595 -5.577 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.881 -2.647 -6.670 1.00 0.35 C ATOM 0 H LEU A 61 10.053 -3.123 -9.014 1.00 0.42 H new ATOM 0 HA LEU A 61 7.901 -1.201 -9.563 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.164 -0.393 -7.860 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.439 -0.238 -7.592 1.00 0.39 H new ATOM 0 HG LEU A 61 9.914 -2.863 -7.279 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.900 -2.422 -4.867 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.880 -1.228 -5.751 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.256 -0.791 -5.171 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.931 -3.461 -5.946 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.221 -1.866 -6.293 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.493 -3.026 -7.615 1.00 0.35 H new ATOM 1014 N ASP A 62 11.088 -0.906 -10.359 1.00 0.50 N ATOM 1015 CA ASP A 62 12.029 -0.202 -11.215 1.00 0.59 C ATOM 1016 C ASP A 62 11.866 -0.663 -12.655 1.00 0.70 C ATOM 1017 O ASP A 62 12.632 -1.488 -13.157 1.00 0.75 O ATOM 1018 CB ASP A 62 13.470 -0.426 -10.757 1.00 0.57 C ATOM 1019 CG ASP A 62 14.414 0.615 -11.324 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.019 1.356 -12.253 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.554 0.710 -10.843 1.00 1.40 O ATOM 0 H ASP A 62 11.494 -1.682 -9.836 1.00 0.50 H new ATOM 0 HA ASP A 62 11.814 0.864 -11.148 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.513 -0.399 -9.668 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.798 -1.419 -11.065 1.00 0.57 H new ATOM 1026 N ALA A 63 10.847 -0.129 -13.300 1.00 0.78 N ATOM 1027 CA ALA A 63 10.532 -0.465 -14.679 1.00 0.94 C ATOM 1028 C ALA A 63 11.630 -0.002 -15.631 1.00 1.12 C ATOM 1029 O ALA A 63 11.854 -0.611 -16.676 1.00 1.30 O ATOM 1030 CB ALA A 63 9.201 0.156 -15.070 1.00 0.99 C ATOM 0 H ALA A 63 10.212 0.552 -12.884 1.00 0.78 H new ATOM 0 HA ALA A 63 10.462 -1.550 -14.756 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.970 -0.099 -16.104 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.416 -0.226 -14.418 1.00 0.99 H new ATOM 0 HB3 ALA A 63 9.261 1.240 -14.968 1.00 0.99 H new ATOM 1036 N ASN A 64 12.312 1.071 -15.264 1.00 1.09 N ATOM 1037 CA ASN A 64 13.357 1.631 -16.109 1.00 1.28 C ATOM 1038 C ASN A 64 14.699 0.966 -15.832 1.00 1.21 C ATOM 1039 O ASN A 64 15.627 1.038 -16.642 1.00 1.37 O ATOM 1040 CB ASN A 64 13.464 3.146 -15.917 1.00 1.34 C ATOM 1041 CG ASN A 64 12.293 3.909 -16.514 1.00 2.03 C ATOM 1042 OD1 ASN A 64 11.735 3.402 -17.605 1.00 2.55 O flip ATOM 1043 ND2 ASN A 64 11.896 4.956 -16.003 1.00 2.80 N flip ATOM 0 H ASN A 64 12.162 1.572 -14.388 1.00 1.09 H new ATOM 0 HA ASN A 64 13.085 1.434 -17.146 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.528 3.367 -14.852 1.00 1.34 H new ATOM 0 HB3 ASN A 64 14.389 3.499 -16.372 1.00 1.34 H new ATOM 0 HD21 ASN A 64 12.349 5.317 -15.163 1.00 2.80 H new ATOM 0 HD22 ASN A 64 11.114 5.462 -16.419 1.00 2.80 H new ATOM 1050 N GLN A 65 14.780 0.326 -14.666 1.00 1.03 N ATOM 1051 CA GLN A 65 15.935 -0.469 -14.261 1.00 1.05 C ATOM 1052 C GLN A 65 17.188 0.387 -14.112 1.00 1.04 C ATOM 1053 O GLN A 65 18.237 0.074 -14.671 1.00 1.17 O ATOM 1054 CB GLN A 65 16.181 -1.606 -15.253 1.00 1.31 C ATOM 1055 CG GLN A 65 15.014 -2.571 -15.369 1.00 1.37 C ATOM 1056 CD GLN A 65 15.310 -3.739 -16.289 1.00 2.03 C ATOM 1057 OE1 GLN A 65 16.559 -4.175 -16.318 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 14.416 -4.258 -16.954 1.00 2.57 N flip ATOM 0 H GLN A 65 14.036 0.346 -13.969 1.00 1.03 H new ATOM 0 HA GLN A 65 15.709 -0.896 -13.284 1.00 1.05 H new ATOM 0 HB2 GLN A 65 16.391 -1.182 -16.235 1.00 1.31 H new ATOM 0 HB3 GLN A 65 17.070 -2.158 -14.948 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.761 -2.949 -14.379 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.140 -2.035 -15.739 1.00 1.37 H new ATOM 0 HE21 GLN A 65 13.465 -3.892 -16.904 1.00 2.57 H new ATOM 0 HE22 GLN A 65 14.625 -5.055 -17.556 1.00 2.57 H new ATOM 1067 N ASP A 66 17.078 1.459 -13.341 1.00 0.93 N ATOM 1068 CA ASP A 66 18.216 2.345 -13.091 1.00 0.95 C ATOM 1069 C ASP A 66 18.704 2.183 -11.661 1.00 0.81 C ATOM 1070 O ASP A 66 19.548 2.947 -11.185 1.00 0.82 O ATOM 1071 CB ASP A 66 17.844 3.808 -13.345 1.00 1.06 C ATOM 1072 CG ASP A 66 17.596 4.109 -14.806 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.576 4.196 -15.573 1.00 2.13 O ATOM 1074 OD2 ASP A 66 16.422 4.268 -15.199 1.00 1.89 O ATOM 0 H ASP A 66 16.215 1.740 -12.876 1.00 0.93 H new ATOM 0 HA ASP A 66 19.013 2.067 -13.780 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.950 4.055 -12.772 1.00 1.06 H new ATOM 0 HB3 ASP A 66 18.645 4.450 -12.978 1.00 1.06 H new ATOM 1079 N GLU A 67 18.155 1.179 -10.993 1.00 0.73 N ATOM 1080 CA GLU A 67 18.427 0.900 -9.592 1.00 0.63 C ATOM 1081 C GLU A 67 17.924 2.048 -8.729 1.00 0.58 C ATOM 1082 O GLU A 67 18.593 2.494 -7.792 1.00 0.60 O ATOM 1083 CB GLU A 67 19.912 0.619 -9.343 1.00 0.68 C ATOM 1084 CG GLU A 67 20.161 -0.137 -8.049 1.00 0.97 C ATOM 1085 CD GLU A 67 21.620 -0.472 -7.833 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.109 -1.445 -8.444 1.00 2.01 O ATOM 1087 OE2 GLU A 67 22.286 0.231 -7.045 1.00 2.02 O ATOM 0 H GLU A 67 17.497 0.525 -11.417 1.00 0.73 H new ATOM 0 HA GLU A 67 17.890 -0.007 -9.314 1.00 0.63 H new ATOM 0 HB2 GLU A 67 20.313 0.043 -10.177 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.456 1.563 -9.317 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.803 0.461 -7.211 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.579 -1.059 -8.055 1.00 0.97 H new ATOM 1094 N GLN A 68 16.730 2.518 -9.059 1.00 0.61 N ATOM 1095 CA GLN A 68 16.098 3.603 -8.327 1.00 0.65 C ATOM 1096 C GLN A 68 14.614 3.316 -8.142 1.00 0.66 C ATOM 1097 O GLN A 68 13.863 3.227 -9.111 1.00 0.78 O ATOM 1098 CB GLN A 68 16.272 4.935 -9.065 1.00 0.85 C ATOM 1099 CG GLN A 68 17.720 5.370 -9.236 1.00 1.38 C ATOM 1100 CD GLN A 68 17.861 6.633 -10.068 1.00 1.63 C ATOM 1101 OE1 GLN A 68 16.958 6.828 -11.016 1.00 2.16 O flip ATOM 1102 NE2 GLN A 68 18.787 7.422 -9.869 1.00 2.07 N flip ATOM 0 H GLN A 68 16.176 2.160 -9.837 1.00 0.61 H new ATOM 0 HA GLN A 68 16.579 3.677 -7.352 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.810 4.855 -10.049 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.733 5.711 -8.522 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.163 5.536 -8.254 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.283 4.565 -9.708 1.00 1.38 H new ATOM 0 HE21 GLN A 68 19.464 7.238 -9.129 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.876 8.259 -10.445 1.00 2.07 H new ATOM 1111 N VAL A 69 14.207 3.173 -6.897 1.00 0.59 N ATOM 1112 CA VAL A 69 12.811 2.989 -6.556 1.00 0.64 C ATOM 1113 C VAL A 69 12.251 4.260 -5.926 1.00 0.64 C ATOM 1114 O VAL A 69 12.588 4.606 -4.794 1.00 0.68 O ATOM 1115 CB VAL A 69 12.635 1.805 -5.580 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.183 1.658 -5.157 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.139 0.518 -6.213 1.00 1.22 C ATOM 0 H VAL A 69 14.835 3.181 -6.093 1.00 0.59 H new ATOM 0 HA VAL A 69 12.264 2.769 -7.473 1.00 0.64 H new ATOM 0 HB VAL A 69 13.226 2.010 -4.688 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.087 0.817 -4.470 1.00 1.81 H new ATOM 0 HG12 VAL A 69 10.854 2.571 -4.661 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.564 1.480 -6.036 1.00 1.81 H new ATOM 0 HG21 VAL A 69 13.008 -0.307 -5.513 1.00 1.22 H new ATOM 0 HG22 VAL A 69 12.575 0.315 -7.123 1.00 1.22 H new ATOM 0 HG23 VAL A 69 14.196 0.622 -6.457 1.00 1.22 H new ATOM 1127 N ASP A 70 11.410 4.960 -6.675 1.00 0.67 N ATOM 1128 CA ASP A 70 10.759 6.172 -6.185 1.00 0.73 C ATOM 1129 C ASP A 70 9.706 5.824 -5.139 1.00 0.64 C ATOM 1130 O ASP A 70 9.356 4.661 -4.990 1.00 0.56 O ATOM 1131 CB ASP A 70 10.110 6.927 -7.351 1.00 0.84 C ATOM 1132 CG ASP A 70 9.347 8.161 -6.914 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.983 9.150 -6.505 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.098 8.138 -6.955 1.00 1.99 O ATOM 0 H ASP A 70 11.160 4.709 -7.631 1.00 0.67 H new ATOM 0 HA ASP A 70 11.512 6.810 -5.723 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.883 7.219 -8.061 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.431 6.256 -7.877 1.00 0.84 H new ATOM 1139 N PHE A 71 9.196 6.819 -4.427 1.00 0.70 N ATOM 1140 CA PHE A 71 8.130 6.596 -3.454 1.00 0.66 C ATOM 1141 C PHE A 71 6.903 5.970 -4.121 1.00 0.55 C ATOM 1142 O PHE A 71 6.167 5.209 -3.499 1.00 0.48 O ATOM 1143 CB PHE A 71 7.740 7.910 -2.777 1.00 0.82 C ATOM 1144 CG PHE A 71 8.813 8.482 -1.895 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.889 9.170 -2.437 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.742 8.333 -0.519 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.873 9.694 -1.623 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.724 8.856 0.298 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.790 9.536 -0.254 1.00 1.76 C ATOM 0 H PHE A 71 9.501 7.789 -4.503 1.00 0.70 H new ATOM 0 HA PHE A 71 8.505 5.905 -2.699 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.486 8.641 -3.544 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.842 7.748 -2.181 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.957 9.297 -3.507 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.910 7.802 -0.081 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.707 10.227 -2.056 1.00 2.17 H new ATOM 0 HE2 PHE A 71 9.658 8.733 1.369 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.559 9.945 0.385 1.00 1.76 H new ATOM 1159 N GLN A 72 6.692 6.299 -5.391 1.00 0.59 N ATOM 1160 CA GLN A 72 5.589 5.735 -6.160 1.00 0.56 C ATOM 1161 C GLN A 72 5.880 4.283 -6.536 1.00 0.49 C ATOM 1162 O GLN A 72 4.988 3.437 -6.560 1.00 0.47 O ATOM 1163 CB GLN A 72 5.350 6.570 -7.417 1.00 0.69 C ATOM 1164 CG GLN A 72 4.311 5.985 -8.354 1.00 0.74 C ATOM 1165 CD GLN A 72 4.125 6.821 -9.603 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.049 7.497 -10.055 1.00 1.66 O ATOM 1167 NE2 GLN A 72 2.935 6.775 -10.175 1.00 1.66 N ATOM 0 H GLN A 72 7.273 6.956 -5.911 1.00 0.59 H new ATOM 0 HA GLN A 72 4.690 5.754 -5.544 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.036 7.571 -7.122 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.292 6.676 -7.955 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.608 4.975 -8.637 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.359 5.902 -7.830 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.196 6.202 -9.768 1.00 1.66 H new ATOM 0 HE22 GLN A 72 2.756 7.312 -11.023 1.00 1.66 H new ATOM 1176 N GLU A 73 7.134 3.998 -6.824 1.00 0.49 N ATOM 1177 CA GLU A 73 7.555 2.640 -7.129 1.00 0.46 C ATOM 1178 C GLU A 73 7.645 1.825 -5.844 1.00 0.36 C ATOM 1179 O GLU A 73 7.431 0.614 -5.835 1.00 0.32 O ATOM 1180 CB GLU A 73 8.885 2.676 -7.874 1.00 0.56 C ATOM 1181 CG GLU A 73 8.803 3.514 -9.138 1.00 0.78 C ATOM 1182 CD GLU A 73 10.132 3.687 -9.833 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.016 4.359 -9.267 1.00 1.99 O ATOM 1184 OE2 GLU A 73 10.278 3.190 -10.966 1.00 1.82 O ATOM 0 H GLU A 73 7.884 4.689 -6.854 1.00 0.49 H new ATOM 0 HA GLU A 73 6.821 2.157 -7.774 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.657 3.081 -7.219 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.185 1.660 -8.131 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.099 3.049 -9.828 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.402 4.496 -8.888 1.00 0.78 H new ATOM 1191 N PHE A 74 7.932 2.509 -4.755 1.00 0.37 N ATOM 1192 CA PHE A 74 7.879 1.915 -3.435 1.00 0.34 C ATOM 1193 C PHE A 74 6.425 1.660 -3.059 1.00 0.32 C ATOM 1194 O PHE A 74 6.116 0.784 -2.258 1.00 0.33 O ATOM 1195 CB PHE A 74 8.555 2.849 -2.425 1.00 0.43 C ATOM 1196 CG PHE A 74 8.583 2.330 -1.017 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.199 1.126 -0.718 1.00 1.31 C ATOM 1198 CD2 PHE A 74 8.001 3.053 0.011 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.232 0.653 0.579 1.00 1.77 C ATOM 1200 CE2 PHE A 74 8.030 2.584 1.309 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.646 1.382 1.594 1.00 1.89 C ATOM 0 H PHE A 74 8.208 3.491 -4.760 1.00 0.37 H new ATOM 0 HA PHE A 74 8.411 0.964 -3.429 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.579 3.035 -2.750 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.038 3.809 -2.435 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.659 0.551 -1.508 1.00 1.31 H new ATOM 0 HD2 PHE A 74 7.519 3.995 -0.205 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.716 -0.287 0.799 1.00 1.77 H new ATOM 0 HE2 PHE A 74 7.571 3.157 2.101 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.669 1.013 2.609 1.00 1.89 H new ATOM 1211 N ILE A 75 5.538 2.419 -3.685 1.00 0.33 N ATOM 1212 CA ILE A 75 4.113 2.239 -3.520 1.00 0.35 C ATOM 1213 C ILE A 75 3.689 0.914 -4.138 1.00 0.34 C ATOM 1214 O ILE A 75 2.897 0.168 -3.560 1.00 0.36 O ATOM 1215 CB ILE A 75 3.348 3.423 -4.154 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.872 4.382 -3.078 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.185 2.955 -5.011 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.454 5.716 -3.634 1.00 0.67 C ATOM 0 H ILE A 75 5.791 3.176 -4.321 1.00 0.33 H new ATOM 0 HA ILE A 75 3.871 2.216 -2.458 1.00 0.35 H new ATOM 0 HB ILE A 75 4.041 3.948 -4.812 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.033 3.936 -2.545 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.670 4.530 -2.350 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.676 3.820 -5.437 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.558 2.321 -5.815 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.486 2.388 -4.397 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.123 6.362 -2.821 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.299 6.179 -4.144 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.637 5.575 -4.341 1.00 0.67 H new ATOM 1230 N SER A 76 4.242 0.608 -5.309 1.00 0.34 N ATOM 1231 CA SER A 76 3.999 -0.678 -5.926 1.00 0.36 C ATOM 1232 C SER A 76 4.676 -1.784 -5.133 1.00 0.31 C ATOM 1233 O SER A 76 4.251 -2.923 -5.178 1.00 0.33 O ATOM 1234 CB SER A 76 4.446 -0.689 -7.385 1.00 0.45 C ATOM 1235 OG SER A 76 5.594 0.116 -7.590 1.00 0.74 O ATOM 0 H SER A 76 4.853 1.230 -5.839 1.00 0.34 H new ATOM 0 HA SER A 76 2.924 -0.861 -5.917 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.661 -1.713 -7.692 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.633 -0.331 -8.017 1.00 0.45 H new ATOM 0 HG SER A 76 6.174 0.066 -6.801 1.00 0.74 H new ATOM 1241 N LEU A 77 5.717 -1.449 -4.384 1.00 0.28 N ATOM 1242 CA LEU A 77 6.337 -2.428 -3.506 1.00 0.26 C ATOM 1243 C LEU A 77 5.356 -2.821 -2.415 1.00 0.23 C ATOM 1244 O LEU A 77 5.226 -3.996 -2.070 1.00 0.23 O ATOM 1245 CB LEU A 77 7.632 -1.881 -2.899 1.00 0.30 C ATOM 1246 CG LEU A 77 8.324 -2.801 -1.887 1.00 0.38 C ATOM 1247 CD1 LEU A 77 9.820 -2.576 -1.913 1.00 1.11 C ATOM 1248 CD2 LEU A 77 7.795 -2.559 -0.479 1.00 1.15 C ATOM 0 H LEU A 77 6.144 -0.523 -4.366 1.00 0.28 H new ATOM 0 HA LEU A 77 6.596 -3.311 -4.090 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.331 -1.668 -3.708 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.412 -0.932 -2.410 1.00 0.30 H new ATOM 0 HG LEU A 77 8.108 -3.832 -2.167 1.00 0.38 H new ATOM 0 HD11 LEU A 77 10.300 -3.235 -1.190 1.00 1.11 H new ATOM 0 HD12 LEU A 77 10.203 -2.791 -2.910 1.00 1.11 H new ATOM 0 HD13 LEU A 77 10.036 -1.539 -1.658 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.302 -3.224 0.220 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.980 -1.523 -0.194 1.00 1.15 H new ATOM 0 HD23 LEU A 77 6.723 -2.756 -0.454 1.00 1.15 H new ATOM 1260 N VAL A 78 4.654 -1.827 -1.887 1.00 0.24 N ATOM 1261 CA VAL A 78 3.630 -2.070 -0.888 1.00 0.25 C ATOM 1262 C VAL A 78 2.513 -2.887 -1.500 1.00 0.27 C ATOM 1263 O VAL A 78 1.836 -3.628 -0.813 1.00 0.28 O ATOM 1264 CB VAL A 78 3.042 -0.763 -0.332 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.163 -1.040 0.873 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.152 0.212 0.020 1.00 0.31 C ATOM 0 H VAL A 78 4.777 -0.846 -2.136 1.00 0.24 H new ATOM 0 HA VAL A 78 4.098 -2.609 -0.064 1.00 0.25 H new ATOM 0 HB VAL A 78 2.421 -0.309 -1.104 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.757 -0.102 1.251 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.344 -1.699 0.583 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.755 -1.519 1.653 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.718 1.132 0.412 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.801 -0.233 0.774 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.735 0.438 -0.873 1.00 0.31 H new ATOM 1276 N ALA A 79 2.333 -2.744 -2.801 1.00 0.31 N ATOM 1277 CA ALA A 79 1.378 -3.558 -3.530 1.00 0.35 C ATOM 1278 C ALA A 79 1.755 -5.032 -3.415 1.00 0.33 C ATOM 1279 O ALA A 79 0.939 -5.870 -3.025 1.00 0.33 O ATOM 1280 CB ALA A 79 1.336 -3.132 -4.988 1.00 0.43 C ATOM 0 H ALA A 79 2.838 -2.069 -3.376 1.00 0.31 H new ATOM 0 HA ALA A 79 0.387 -3.417 -3.099 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.617 -3.749 -5.527 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.037 -2.086 -5.053 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.324 -3.256 -5.432 1.00 0.43 H new ATOM 1286 N ILE A 80 3.010 -5.328 -3.734 1.00 0.32 N ATOM 1287 CA ILE A 80 3.564 -6.674 -3.596 1.00 0.32 C ATOM 1288 C ILE A 80 3.420 -7.160 -2.157 1.00 0.28 C ATOM 1289 O ILE A 80 3.124 -8.326 -1.907 1.00 0.31 O ATOM 1290 CB ILE A 80 5.066 -6.707 -4.008 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.242 -6.701 -5.537 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.771 -7.923 -3.417 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.673 -5.489 -6.245 1.00 0.40 C ATOM 0 H ILE A 80 3.674 -4.643 -4.096 1.00 0.32 H new ATOM 0 HA ILE A 80 3.006 -7.334 -4.260 1.00 0.32 H new ATOM 0 HB ILE A 80 5.521 -5.801 -3.608 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.306 -6.769 -5.765 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.771 -7.595 -5.945 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.818 -7.920 -3.721 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.709 -7.887 -2.329 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.291 -8.833 -3.778 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.847 -5.579 -7.317 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.601 -5.427 -6.055 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.160 -4.588 -5.873 1.00 0.40 H new ATOM 1305 N ALA A 81 3.602 -6.243 -1.223 1.00 0.23 N ATOM 1306 CA ALA A 81 3.575 -6.560 0.196 1.00 0.23 C ATOM 1307 C ALA A 81 2.148 -6.769 0.717 1.00 0.23 C ATOM 1308 O ALA A 81 1.910 -7.594 1.597 1.00 0.28 O ATOM 1309 CB ALA A 81 4.281 -5.459 0.958 1.00 0.24 C ATOM 0 H ALA A 81 3.773 -5.258 -1.426 1.00 0.23 H new ATOM 0 HA ALA A 81 4.096 -7.505 0.351 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.266 -5.687 2.024 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.314 -5.385 0.617 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.772 -4.511 0.783 1.00 0.24 H new ATOM 1315 N LEU A 82 1.202 -6.020 0.170 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.206 -6.190 0.503 1.00 0.23 C ATOM 1317 C LEU A 82 -0.719 -7.478 -0.114 1.00 0.24 C ATOM 1318 O LEU A 82 -1.582 -8.163 0.447 1.00 0.29 O ATOM 1319 CB LEU A 82 -1.025 -5.007 -0.010 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.733 -3.664 0.659 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.460 -2.555 -0.063 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -1.137 -3.696 2.123 1.00 0.31 C ATOM 0 H LEU A 82 1.385 -5.283 -0.511 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.309 -6.237 1.587 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.851 -4.905 -1.081 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -2.083 -5.236 0.121 1.00 0.25 H new ATOM 0 HG LEU A 82 0.339 -3.475 0.604 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.245 -1.603 0.422 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.128 -2.517 -1.100 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.533 -2.743 -0.033 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.921 -2.731 2.581 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.204 -3.904 2.202 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.576 -4.476 2.638 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.190 -7.793 -1.288 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.446 -9.067 -1.927 1.00 0.33 C ATOM 1336 C LYS A 83 0.219 -10.188 -1.138 1.00 0.31 C ATOM 1337 O LYS A 83 -0.273 -11.302 -1.111 1.00 0.44 O ATOM 1338 CB LYS A 83 0.054 -9.053 -3.373 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.927 -8.459 -4.366 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.158 -9.355 -5.570 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.426 -10.175 -5.410 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.685 -11.031 -6.598 1.00 1.67 N ATOM 0 H LYS A 83 0.424 -7.174 -1.818 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.522 -9.242 -1.943 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.985 -8.488 -3.418 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.286 -10.074 -3.675 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.878 -8.277 -3.866 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.555 -7.492 -4.704 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.227 -8.746 -6.472 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.305 -10.021 -5.700 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.344 -10.802 -4.522 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.273 -9.507 -5.252 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.559 -11.575 -6.450 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.789 -10.432 -7.442 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -1.889 -11.686 -6.734 1.00 1.67 H new ATOM 1356 N ALA A 84 1.329 -9.883 -0.490 1.00 0.31 N ATOM 1357 CA ALA A 84 2.003 -10.848 0.368 1.00 0.35 C ATOM 1358 C ALA A 84 1.110 -11.243 1.536 1.00 0.33 C ATOM 1359 O ALA A 84 1.049 -12.406 1.919 1.00 0.40 O ATOM 1360 CB ALA A 84 3.316 -10.274 0.876 1.00 0.48 C ATOM 0 H ALA A 84 1.786 -8.972 -0.540 1.00 0.31 H new ATOM 0 HA ALA A 84 2.216 -11.742 -0.219 1.00 0.35 H new ATOM 0 HB1 ALA A 84 3.809 -11.005 1.516 1.00 0.48 H new ATOM 0 HB2 ALA A 84 3.961 -10.038 0.030 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.120 -9.366 1.447 1.00 0.48 H new ATOM 1366 N ALA A 85 0.404 -10.265 2.075 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.457 -10.487 3.224 1.00 0.38 C ATOM 1368 C ALA A 85 -1.695 -11.317 2.867 1.00 0.44 C ATOM 1369 O ALA A 85 -1.948 -12.349 3.482 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.864 -9.153 3.827 1.00 0.43 C ATOM 0 H ALA A 85 0.410 -9.304 1.733 1.00 0.30 H new ATOM 0 HA ALA A 85 0.109 -11.060 3.958 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.510 -9.325 4.688 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.027 -8.610 4.144 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.401 -8.566 3.082 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.470 -10.872 1.880 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.729 -11.544 1.560 1.00 0.59 C ATOM 1378 C HIS A 86 -3.520 -12.716 0.587 1.00 0.63 C ATOM 1379 O HIS A 86 -4.122 -13.773 0.734 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.759 -10.531 1.018 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.602 -10.135 -0.423 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -3.912 -9.013 -0.828 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -5.088 -10.701 -1.555 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -3.985 -8.904 -2.142 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -4.692 -9.915 -2.608 1.00 2.68 N ATOM 0 H HIS A 86 -2.255 -10.063 1.297 1.00 0.44 H new ATOM 0 HA HIS A 86 -4.125 -11.970 2.482 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.756 -10.951 1.152 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.708 -9.630 1.629 1.00 0.69 H new ATOM 0 HD1 HIS A 86 -3.421 -8.367 -0.209 1.00 2.06 H new ATOM 0 HD2 HIS A 86 -5.678 -11.604 -1.617 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -3.540 -8.119 -2.735 1.00 2.66 H new ATOM 1394 N TYR A 87 -2.646 -12.515 -0.389 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.337 -13.513 -1.418 1.00 0.65 C ATOM 1396 C TYR A 87 -1.181 -14.400 -0.949 1.00 0.62 C ATOM 1397 O TYR A 87 -0.406 -14.905 -1.757 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.022 -12.840 -2.762 1.00 0.69 C ATOM 1399 CG TYR A 87 -1.921 -13.794 -3.935 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.004 -14.574 -4.317 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -0.740 -13.913 -4.657 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -2.914 -15.444 -5.384 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -0.643 -14.782 -5.727 1.00 1.80 C ATOM 1404 CZ TYR A 87 -1.733 -15.545 -6.086 1.00 1.29 C ATOM 1405 OH TYR A 87 -1.640 -16.413 -7.149 1.00 1.52 O ATOM 0 H TYR A 87 -2.122 -11.646 -0.495 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.213 -14.143 -1.573 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.796 -12.103 -2.975 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.082 -12.297 -2.670 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -3.932 -14.499 -3.770 1.00 1.44 H new ATOM 0 HD2 TYR A 87 0.116 -13.317 -4.377 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -3.766 -16.044 -5.668 1.00 1.55 H new ATOM 0 HE2 TYR A 87 0.282 -14.863 -6.279 1.00 1.80 H new ATOM 0 HH TYR A 87 -0.741 -16.362 -7.535 1.00 1.52 H new ATOM 1415 N HIS A 88 -1.015 -14.439 0.375 1.00 0.59 N ATOM 1416 CA HIS A 88 0.035 -15.196 1.100 1.00 0.62 C ATOM 1417 C HIS A 88 0.254 -16.661 0.653 1.00 0.69 C ATOM 1418 O HIS A 88 0.789 -17.461 1.414 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.294 -15.182 2.601 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.665 -15.697 2.943 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.636 -14.909 3.518 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -2.224 -16.922 2.791 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -3.729 -15.622 3.704 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -3.506 -16.847 3.272 1.00 3.26 N ATOM 0 H HIS A 88 -1.629 -13.926 1.007 1.00 0.59 H new ATOM 0 HA HIS A 88 0.968 -14.685 0.862 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.448 -15.782 3.128 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.200 -14.161 2.971 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -2.527 -13.925 3.763 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -1.748 -17.795 2.369 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -4.651 -15.263 4.137 1.00 3.25 H new ATOM 1433 N THR A 89 -0.160 -17.024 -0.541 1.00 0.73 N ATOM 1434 CA THR A 89 0.033 -18.373 -1.037 1.00 0.81 C ATOM 1435 C THR A 89 1.395 -18.523 -1.724 1.00 0.72 C ATOM 1436 O THR A 89 1.808 -19.635 -2.052 1.00 1.05 O ATOM 1437 CB THR A 89 -1.094 -18.761 -2.017 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.911 -20.100 -2.498 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.153 -17.794 -3.191 1.00 0.89 C ATOM 0 H THR A 89 -0.636 -16.400 -1.192 1.00 0.73 H new ATOM 0 HA THR A 89 0.004 -19.045 -0.179 1.00 0.81 H new ATOM 0 HB THR A 89 -2.038 -18.707 -1.474 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.044 -20.318 -2.503 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.956 -18.090 -3.866 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.342 -16.786 -2.823 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.203 -17.813 -3.726 1.00 0.89 H new ATOM 1447 N HIS A 90 2.094 -17.408 -1.928 1.00 0.65 N ATOM 1448 CA HIS A 90 3.391 -17.433 -2.621 1.00 0.64 C ATOM 1449 C HIS A 90 4.202 -16.183 -2.332 1.00 0.93 C ATOM 1450 O HIS A 90 5.424 -16.199 -2.424 1.00 1.77 O ATOM 1451 CB HIS A 90 3.176 -17.596 -4.132 1.00 0.91 C ATOM 1452 CG HIS A 90 4.422 -17.918 -4.903 1.00 1.72 C ATOM 1453 ND1 HIS A 90 4.767 -19.200 -5.265 1.00 2.44 N ATOM 1454 CD2 HIS A 90 5.400 -17.119 -5.386 1.00 2.68 C ATOM 1455 CE1 HIS A 90 5.903 -19.176 -5.933 1.00 3.33 C ATOM 1456 NE2 HIS A 90 6.308 -17.925 -6.021 1.00 3.47 N ATOM 0 H HIS A 90 1.792 -16.481 -1.628 1.00 0.65 H new ATOM 0 HA HIS A 90 3.957 -18.286 -2.246 1.00 0.64 H new ATOM 0 HB2 HIS A 90 2.445 -18.387 -4.300 1.00 0.91 H new ATOM 0 HB3 HIS A 90 2.746 -16.676 -4.527 1.00 0.91 H new ATOM 0 HD2 HIS A 90 5.455 -16.045 -5.289 1.00 2.68 H new ATOM 0 HE1 HIS A 90 6.415 -20.036 -6.339 1.00 3.33 H new ATOM 0 HE2 HIS A 90 7.159 -17.608 -6.486 1.00 3.47 H new ATOM 1465 N LYS A 91 3.534 -15.100 -1.987 1.00 0.91 N ATOM 1466 CA LYS A 91 4.244 -13.905 -1.575 1.00 1.63 C ATOM 1467 C LYS A 91 4.410 -13.895 -0.058 1.00 2.59 C ATOM 1468 O LYS A 91 4.839 -12.908 0.527 1.00 3.47 O ATOM 1469 CB LYS A 91 3.538 -12.648 -2.097 1.00 1.09 C ATOM 1470 CG LYS A 91 3.747 -12.449 -3.592 1.00 1.28 C ATOM 1471 CD LYS A 91 2.949 -11.284 -4.158 1.00 0.87 C ATOM 1472 CE LYS A 91 3.261 -11.099 -5.637 1.00 0.78 C ATOM 1473 NZ LYS A 91 2.401 -10.072 -6.276 1.00 1.28 N ATOM 0 H LYS A 91 2.517 -15.022 -1.983 1.00 0.91 H new ATOM 0 HA LYS A 91 5.242 -13.907 -2.013 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.471 -12.720 -1.888 1.00 1.09 H new ATOM 0 HB3 LYS A 91 3.910 -11.775 -1.561 1.00 1.09 H new ATOM 0 HG2 LYS A 91 4.807 -12.283 -3.785 1.00 1.28 H new ATOM 0 HG3 LYS A 91 3.466 -13.362 -4.116 1.00 1.28 H new ATOM 0 HD2 LYS A 91 1.883 -11.466 -4.024 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.188 -10.371 -3.612 1.00 0.87 H new ATOM 0 HE2 LYS A 91 4.307 -10.814 -5.751 1.00 0.78 H new ATOM 0 HE3 LYS A 91 3.131 -12.050 -6.154 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 2.927 -9.607 -7.043 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 1.550 -10.525 -6.666 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 2.122 -9.363 -5.568 1.00 1.28 H new ATOM 1487 N GLU A 92 4.096 -15.037 0.553 1.00 2.69 N ATOM 1488 CA GLU A 92 4.289 -15.256 1.981 1.00 3.81 C ATOM 1489 C GLU A 92 4.518 -16.746 2.218 1.00 4.36 C ATOM 1490 O GLU A 92 3.609 -17.543 1.916 1.00 4.92 O ATOM 1491 CB GLU A 92 3.080 -14.751 2.779 1.00 4.66 C ATOM 1492 CG GLU A 92 3.240 -14.811 4.297 1.00 5.75 C ATOM 1493 CD GLU A 92 2.764 -16.120 4.910 1.00 6.58 C ATOM 1494 OE1 GLU A 92 1.533 -16.316 5.025 1.00 7.00 O ATOM 1495 OE2 GLU A 92 3.614 -16.945 5.306 1.00 7.09 O ATOM 1496 OXT GLU A 92 5.618 -17.120 2.679 1.00 4.64 O ATOM 0 H GLU A 92 3.698 -15.840 0.065 1.00 2.69 H new ATOM 0 HA GLU A 92 5.158 -14.695 2.324 1.00 3.81 H new ATOM 0 HB2 GLU A 92 2.878 -13.720 2.490 1.00 4.66 H new ATOM 0 HB3 GLU A 92 2.206 -15.338 2.497 1.00 4.66 H new ATOM 0 HG2 GLU A 92 4.290 -14.662 4.549 1.00 5.75 H new ATOM 0 HG3 GLU A 92 2.685 -13.987 4.745 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 11.118 0.517 12.356 1.00 4.70 N ATOM 1505 CA MET B 1 11.947 -0.165 13.374 1.00 4.22 C ATOM 1506 C MET B 1 11.257 -1.432 13.876 1.00 3.60 C ATOM 1507 O MET B 1 11.728 -2.539 13.623 1.00 4.04 O ATOM 1508 CB MET B 1 12.235 0.780 14.545 1.00 4.51 C ATOM 1509 CG MET B 1 13.072 0.153 15.649 1.00 5.00 C ATOM 1510 SD MET B 1 13.417 1.298 17.000 1.00 5.79 S ATOM 1511 CE MET B 1 14.357 2.562 16.148 1.00 6.42 C ATOM 0 H1 MET B 1 11.731 1.063 11.718 1.00 4.70 H new ATOM 0 H2 MET B 1 10.590 -0.191 11.807 1.00 4.70 H new ATOM 0 H3 MET B 1 10.449 1.159 12.827 1.00 4.70 H new ATOM 0 HA MET B 1 12.891 -0.450 12.910 1.00 4.22 H new ATOM 0 HB2 MET B 1 12.751 1.663 14.168 1.00 4.51 H new ATOM 0 HB3 MET B 1 11.289 1.119 14.967 1.00 4.51 H new ATOM 0 HG2 MET B 1 12.551 -0.720 16.043 1.00 5.00 H new ATOM 0 HG3 MET B 1 14.014 -0.200 15.229 1.00 5.00 H new ATOM 0 HE1 MET B 1 14.934 3.136 16.872 1.00 6.42 H new ATOM 0 HE2 MET B 1 15.034 2.093 15.434 1.00 6.42 H new ATOM 0 HE3 MET B 1 13.675 3.227 15.618 1.00 6.42 H new ATOM 1523 N THR B 2 10.146 -1.269 14.586 1.00 3.07 N ATOM 1524 CA THR B 2 9.413 -2.406 15.121 1.00 2.91 C ATOM 1525 C THR B 2 7.932 -2.050 15.308 1.00 2.45 C ATOM 1526 O THR B 2 7.424 -1.941 16.425 1.00 3.04 O ATOM 1527 CB THR B 2 10.051 -2.904 16.451 1.00 3.67 C ATOM 1528 OG1 THR B 2 9.298 -3.993 17.004 1.00 4.26 O ATOM 1529 CG2 THR B 2 10.167 -1.781 17.477 1.00 4.23 C ATOM 0 H THR B 2 9.735 -0.361 14.803 1.00 3.07 H new ATOM 0 HA THR B 2 9.474 -3.224 14.403 1.00 2.91 H new ATOM 0 HB THR B 2 11.056 -3.252 16.213 1.00 3.67 H new ATOM 0 HG1 THR B 2 9.718 -4.291 17.838 1.00 4.26 H new ATOM 0 HG21 THR B 2 10.617 -2.168 18.391 1.00 4.23 H new ATOM 0 HG22 THR B 2 10.792 -0.984 17.075 1.00 4.23 H new ATOM 0 HG23 THR B 2 9.175 -1.387 17.699 1.00 4.23 H new ATOM 1537 N LYS B 3 7.237 -1.859 14.193 1.00 2.16 N ATOM 1538 CA LYS B 3 5.828 -1.503 14.225 1.00 2.53 C ATOM 1539 C LYS B 3 4.997 -2.646 13.659 1.00 2.08 C ATOM 1540 O LYS B 3 3.832 -2.464 13.293 1.00 2.81 O ATOM 1541 CB LYS B 3 5.583 -0.211 13.440 1.00 3.53 C ATOM 1542 CG LYS B 3 6.431 0.958 13.923 1.00 4.29 C ATOM 1543 CD LYS B 3 6.158 2.229 13.130 1.00 5.37 C ATOM 1544 CE LYS B 3 4.762 2.774 13.391 1.00 5.97 C ATOM 1545 NZ LYS B 3 4.579 3.227 14.799 1.00 6.04 N ATOM 0 H LYS B 3 7.629 -1.945 13.255 1.00 2.16 H new ATOM 0 HA LYS B 3 5.528 -1.330 15.258 1.00 2.53 H new ATOM 0 HB2 LYS B 3 5.791 -0.390 12.385 1.00 3.53 H new ATOM 0 HB3 LYS B 3 4.529 0.058 13.516 1.00 3.53 H new ATOM 0 HG2 LYS B 3 6.230 1.140 14.979 1.00 4.29 H new ATOM 0 HG3 LYS B 3 7.486 0.699 13.840 1.00 4.29 H new ATOM 0 HD2 LYS B 3 6.898 2.986 13.392 1.00 5.37 H new ATOM 0 HD3 LYS B 3 6.274 2.024 12.066 1.00 5.37 H new ATOM 0 HE2 LYS B 3 4.570 3.608 12.717 1.00 5.97 H new ATOM 0 HE3 LYS B 3 4.026 2.003 13.162 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 3.679 3.741 14.884 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 4.567 2.401 15.431 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 5.363 3.856 15.066 1.00 6.04 H new ATOM 1559 N LEU B 4 5.629 -3.818 13.578 1.00 1.61 N ATOM 1560 CA LEU B 4 4.982 -5.044 13.113 1.00 1.98 C ATOM 1561 C LEU B 4 4.604 -4.960 11.638 1.00 1.51 C ATOM 1562 O LEU B 4 4.870 -3.965 10.957 1.00 2.03 O ATOM 1563 CB LEU B 4 3.731 -5.369 13.950 1.00 3.02 C ATOM 1564 CG LEU B 4 3.984 -5.940 15.352 1.00 3.80 C ATOM 1565 CD1 LEU B 4 4.578 -4.891 16.279 1.00 4.50 C ATOM 1566 CD2 LEU B 4 2.694 -6.490 15.939 1.00 4.44 C ATOM 0 H LEU B 4 6.608 -3.943 13.834 1.00 1.61 H new ATOM 0 HA LEU B 4 5.709 -5.847 13.237 1.00 1.98 H new ATOM 0 HB2 LEU B 4 3.141 -4.458 14.052 1.00 3.02 H new ATOM 0 HB3 LEU B 4 3.123 -6.082 13.394 1.00 3.02 H new ATOM 0 HG LEU B 4 4.706 -6.751 15.257 1.00 3.80 H new ATOM 0 HD11 LEU B 4 4.745 -5.328 17.264 1.00 4.50 H new ATOM 0 HD12 LEU B 4 5.527 -4.541 15.872 1.00 4.50 H new ATOM 0 HD13 LEU B 4 3.889 -4.051 16.367 1.00 4.50 H new ATOM 0 HD21 LEU B 4 2.889 -6.892 16.933 1.00 4.44 H new ATOM 0 HD22 LEU B 4 1.956 -5.691 16.009 1.00 4.44 H new ATOM 0 HD23 LEU B 4 2.311 -7.283 15.296 1.00 4.44 H new ATOM 1578 N GLU B 5 3.968 -6.017 11.158 1.00 1.20 N ATOM 1579 CA GLU B 5 3.480 -6.083 9.789 1.00 0.94 C ATOM 1580 C GLU B 5 2.122 -5.401 9.713 1.00 0.69 C ATOM 1581 O GLU B 5 1.421 -5.462 8.702 1.00 0.69 O ATOM 1582 CB GLU B 5 3.354 -7.542 9.326 1.00 1.39 C ATOM 1583 CG GLU B 5 4.632 -8.364 9.450 1.00 1.80 C ATOM 1584 CD GLU B 5 5.004 -8.689 10.884 1.00 2.48 C ATOM 1585 OE1 GLU B 5 4.322 -9.530 11.508 1.00 3.00 O ATOM 1586 OE2 GLU B 5 5.975 -8.099 11.396 1.00 3.10 O ATOM 0 H GLU B 5 3.775 -6.855 11.707 1.00 1.20 H new ATOM 0 HA GLU B 5 4.189 -5.576 9.135 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.569 -8.026 9.907 1.00 1.39 H new ATOM 0 HB3 GLU B 5 3.032 -7.552 8.285 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.512 -9.294 8.894 1.00 1.80 H new ATOM 0 HG3 GLU B 5 5.453 -7.818 8.985 1.00 1.80 H new ATOM 1593 N GLU B 6 1.792 -4.719 10.804 1.00 0.68 N ATOM 1594 CA GLU B 6 0.500 -4.083 11.002 1.00 0.67 C ATOM 1595 C GLU B 6 0.223 -3.017 9.939 1.00 0.54 C ATOM 1596 O GLU B 6 -0.921 -2.612 9.732 1.00 0.60 O ATOM 1597 CB GLU B 6 0.460 -3.476 12.404 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.912 -2.980 12.822 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.958 -2.569 14.276 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -0.365 -1.529 14.615 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -1.582 -3.290 15.084 1.00 2.48 O ATOM 0 H GLU B 6 2.430 -4.592 11.590 1.00 0.68 H new ATOM 0 HA GLU B 6 -0.282 -4.836 10.903 1.00 0.67 H new ATOM 0 HB2 GLU B 6 0.800 -4.223 13.122 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.165 -2.646 12.450 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -1.194 -2.132 12.198 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -1.648 -3.764 12.645 1.00 1.06 H new ATOM 1608 N HIS B 7 1.266 -2.554 9.268 1.00 0.42 N ATOM 1609 CA HIS B 7 1.087 -1.605 8.178 1.00 0.38 C ATOM 1610 C HIS B 7 0.349 -2.289 7.028 1.00 0.35 C ATOM 1611 O HIS B 7 -0.798 -1.960 6.719 1.00 0.39 O ATOM 1612 CB HIS B 7 2.431 -1.069 7.672 1.00 0.43 C ATOM 1613 CG HIS B 7 3.344 -0.547 8.740 1.00 0.95 C ATOM 1614 ND1 HIS B 7 3.117 0.623 9.436 1.00 1.73 N ATOM 1615 CD2 HIS B 7 4.509 -1.048 9.219 1.00 1.60 C ATOM 1616 CE1 HIS B 7 4.105 0.816 10.293 1.00 2.16 C ATOM 1617 NE2 HIS B 7 4.961 -0.184 10.180 1.00 2.03 N ATOM 0 H HIS B 7 2.234 -2.815 9.455 1.00 0.42 H new ATOM 0 HA HIS B 7 0.506 -0.763 8.554 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.944 -1.866 7.133 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.241 -0.271 6.955 1.00 0.43 H new ATOM 0 HD1 HIS B 7 2.315 1.240 9.309 1.00 1.73 H new ATOM 0 HD2 HIS B 7 4.992 -1.960 8.901 1.00 1.60 H new ATOM 0 HE1 HIS B 7 4.197 1.651 10.972 1.00 2.16 H new ATOM 1626 N LEU B 8 1.020 -3.272 6.440 1.00 0.34 N ATOM 1627 CA LEU B 8 0.495 -4.031 5.311 1.00 0.33 C ATOM 1628 C LEU B 8 -0.732 -4.834 5.709 1.00 0.34 C ATOM 1629 O LEU B 8 -1.822 -4.638 5.172 1.00 0.34 O ATOM 1630 CB LEU B 8 1.578 -4.978 4.820 1.00 0.33 C ATOM 1631 CG LEU B 8 2.902 -4.293 4.497 1.00 0.33 C ATOM 1632 CD1 LEU B 8 3.985 -5.315 4.243 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.744 -3.368 3.304 1.00 0.33 C ATOM 0 H LEU B 8 1.951 -3.567 6.735 1.00 0.34 H new ATOM 0 HA LEU B 8 0.203 -3.335 4.525 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.751 -5.740 5.579 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.220 -5.492 3.928 1.00 0.33 H new ATOM 0 HG LEU B 8 3.198 -3.694 5.358 1.00 0.33 H new ATOM 0 HD11 LEU B 8 4.921 -4.805 4.015 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.117 -5.934 5.131 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.700 -5.945 3.400 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.698 -2.887 3.087 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.423 -3.945 2.437 1.00 0.33 H new ATOM 0 HD23 LEU B 8 1.997 -2.607 3.530 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.550 -5.723 6.676 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.618 -6.606 7.110 1.00 0.40 C ATOM 1647 C GLU B 9 -2.738 -5.815 7.764 1.00 0.40 C ATOM 1648 O GLU B 9 -3.865 -6.286 7.845 1.00 0.42 O ATOM 1649 CB GLU B 9 -1.094 -7.667 8.075 1.00 0.48 C ATOM 1650 CG GLU B 9 0.028 -8.514 7.502 1.00 1.24 C ATOM 1651 CD GLU B 9 0.373 -9.688 8.390 1.00 1.72 C ATOM 1652 OE1 GLU B 9 0.784 -9.464 9.544 1.00 2.41 O ATOM 1653 OE2 GLU B 9 0.232 -10.843 7.939 1.00 2.16 O ATOM 0 H GLU B 9 0.331 -5.850 7.175 1.00 0.37 H new ATOM 0 HA GLU B 9 -2.013 -7.108 6.227 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.740 -7.177 8.982 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.917 -8.319 8.365 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -0.263 -8.880 6.517 1.00 1.24 H new ATOM 0 HG3 GLU B 9 0.914 -7.894 7.363 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.417 -4.616 8.236 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.423 -3.753 8.820 1.00 0.43 C ATOM 1662 C GLY B 10 -4.388 -3.220 7.785 1.00 0.39 C ATOM 1663 O GLY B 10 -5.567 -3.050 8.066 1.00 0.44 O ATOM 0 H GLY B 10 -1.474 -4.226 8.224 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.976 -4.305 9.580 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.935 -2.918 9.324 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.889 -2.942 6.589 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.755 -2.553 5.481 1.00 0.33 C ATOM 1669 C ILE B 11 -5.636 -3.737 5.080 1.00 0.33 C ATOM 1670 O ILE B 11 -6.824 -3.595 4.782 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.925 -2.079 4.264 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -3.176 -0.784 4.591 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.810 -1.888 3.042 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -4.085 0.393 4.887 1.00 1.16 C ATOM 0 H ILE B 11 -2.896 -2.978 6.360 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.381 -1.723 5.808 1.00 0.33 H new ATOM 0 HB ILE B 11 -3.193 -2.853 4.035 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.530 -0.957 5.452 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.528 -0.529 3.752 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -4.202 -1.555 2.201 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -5.291 -2.833 2.790 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.572 -1.139 3.258 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.481 1.273 5.109 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.714 0.594 4.020 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.715 0.159 5.745 1.00 1.16 H new ATOM 1686 N VAL B 12 -5.038 -4.912 5.119 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.714 -6.143 4.764 1.00 0.38 C ATOM 1688 C VAL B 12 -6.783 -6.522 5.793 1.00 0.40 C ATOM 1689 O VAL B 12 -7.887 -6.929 5.429 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.678 -7.269 4.616 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.329 -8.606 4.324 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.702 -6.903 3.516 1.00 0.48 C ATOM 0 H VAL B 12 -4.066 -5.039 5.399 1.00 0.33 H new ATOM 0 HA VAL B 12 -6.226 -5.992 3.814 1.00 0.38 H new ATOM 0 HB VAL B 12 -4.149 -7.375 5.563 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.560 -9.372 4.227 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -6.002 -8.869 5.140 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.894 -8.540 3.394 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.964 -7.697 3.405 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.242 -6.776 2.578 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -3.197 -5.972 3.773 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.475 -6.355 7.076 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.394 -6.779 8.126 1.00 0.49 C ATOM 1704 C ASN B 13 -8.515 -5.768 8.352 1.00 0.48 C ATOM 1705 O ASN B 13 -9.549 -6.119 8.912 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.668 -7.111 9.446 1.00 0.62 C ATOM 1707 CG ASN B 13 -5.989 -5.934 10.134 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -6.426 -4.791 10.055 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -4.902 -6.224 10.835 1.00 1.42 N ATOM 0 H ASN B 13 -5.608 -5.935 7.410 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.852 -7.702 7.771 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -7.389 -7.547 10.137 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.917 -7.875 9.245 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -4.402 -5.485 11.330 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -4.566 -7.186 10.880 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.332 -4.523 7.913 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.420 -3.554 7.994 1.00 0.57 C ATOM 1718 C ILE B 14 -10.403 -3.772 6.850 1.00 0.53 C ATOM 1719 O ILE B 14 -11.607 -3.558 7.008 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.948 -2.079 8.013 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -8.105 -1.747 6.779 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.175 -1.788 9.293 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.682 -0.295 6.701 1.00 2.06 C ATOM 0 H ILE B 14 -7.465 -4.170 7.508 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.909 -3.729 8.952 1.00 0.57 H new ATOM 0 HB ILE B 14 -9.831 -1.441 7.987 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.215 -2.376 6.779 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.673 -1.999 5.884 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.849 -0.748 9.293 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.818 -1.967 10.155 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -7.304 -2.441 9.348 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.089 -0.137 5.801 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.567 0.341 6.669 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.086 -0.042 7.578 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.900 -4.229 5.701 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.785 -4.612 4.608 1.00 0.59 C ATOM 1737 C PHE B 15 -11.537 -5.876 5.012 1.00 0.61 C ATOM 1738 O PHE B 15 -12.748 -5.992 4.830 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.992 -4.845 3.319 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.853 -4.902 2.087 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.178 -3.741 1.403 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -11.338 -6.109 1.613 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.970 -3.783 0.272 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -12.130 -6.158 0.482 1.00 2.54 C ATOM 1745 CZ PHE B 15 -12.446 -4.993 -0.188 1.00 2.58 C ATOM 0 H PHE B 15 -8.905 -4.340 5.509 1.00 0.48 H new ATOM 0 HA PHE B 15 -11.494 -3.807 4.414 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -9.259 -4.047 3.204 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.436 -5.778 3.408 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.807 -2.791 1.759 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -11.094 -7.023 2.134 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.216 -2.871 -0.251 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -12.501 -7.106 0.123 1.00 2.54 H new ATOM 0 HZ PHE B 15 -13.066 -5.029 -1.072 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.791 -6.802 5.598 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.343 -8.026 6.169 1.00 0.72 C ATOM 1757 C HIS B 16 -12.387 -7.683 7.239 1.00 0.75 C ATOM 1758 O HIS B 16 -13.374 -8.397 7.417 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.186 -8.831 6.784 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.517 -10.223 7.242 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -9.632 -11.272 7.115 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.603 -10.730 7.872 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -10.159 -12.358 7.645 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.356 -12.059 8.112 1.00 2.23 N ATOM 0 H HIS B 16 -9.778 -6.726 5.692 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.836 -8.616 5.396 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.384 -8.894 6.049 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.795 -8.274 7.636 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -12.499 -10.188 8.137 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -9.689 -13.330 7.689 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -11.993 -12.708 8.575 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.161 -6.572 7.927 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.986 -6.177 9.061 1.00 0.82 C ATOM 1775 C GLN B 17 -14.395 -5.768 8.638 1.00 0.93 C ATOM 1776 O GLN B 17 -15.377 -6.292 9.171 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.313 -5.035 9.827 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.075 -4.580 11.057 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.284 -3.599 11.895 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -12.357 -2.386 11.693 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -11.521 -4.119 12.841 1.00 2.77 N ATOM 0 H GLN B 17 -11.404 -5.922 7.716 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.083 -7.047 9.711 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.315 -5.353 10.128 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.188 -4.186 9.155 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -14.013 -4.118 10.750 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.332 -5.448 11.664 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -11.491 -5.130 12.974 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -10.963 -3.509 13.438 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.513 -4.841 7.693 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.829 -4.340 7.324 1.00 1.08 C ATOM 1792 C TYR B 18 -16.497 -5.227 6.280 1.00 1.34 C ATOM 1793 O TYR B 18 -17.683 -5.539 6.398 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.758 -2.898 6.812 1.00 1.22 C ATOM 1795 CG TYR B 18 -17.129 -2.290 6.592 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -17.853 -1.771 7.656 1.00 3.25 C ATOM 1797 CD2 TYR B 18 -17.707 -2.258 5.329 1.00 3.14 C ATOM 1798 CE1 TYR B 18 -19.115 -1.238 7.470 1.00 4.48 C ATOM 1799 CE2 TYR B 18 -18.967 -1.722 5.134 1.00 4.38 C ATOM 1800 CZ TYR B 18 -19.667 -1.216 6.208 1.00 4.93 C ATOM 1801 OH TYR B 18 -20.925 -0.686 6.019 1.00 6.25 O ATOM 0 H TYR B 18 -13.733 -4.430 7.180 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.435 -4.358 8.230 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -15.205 -2.289 7.527 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.200 -2.876 5.876 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -17.423 -1.784 8.647 1.00 3.25 H new ATOM 0 HD2 TYR B 18 -17.164 -2.658 4.486 1.00 3.14 H new ATOM 0 HE1 TYR B 18 -19.665 -0.841 8.310 1.00 4.48 H new ATOM 0 HE2 TYR B 18 -19.400 -1.700 4.145 1.00 4.38 H new ATOM 0 HH TYR B 18 -21.166 -0.746 5.071 1.00 6.25 H new ATOM 1811 N SER B 19 -15.741 -5.634 5.271 1.00 1.32 N ATOM 1812 CA SER B 19 -16.304 -6.382 4.158 1.00 1.78 C ATOM 1813 C SER B 19 -16.827 -7.753 4.592 1.00 1.86 C ATOM 1814 O SER B 19 -18.042 -7.955 4.694 1.00 2.32 O ATOM 1815 CB SER B 19 -15.270 -6.524 3.045 1.00 2.38 C ATOM 1816 OG SER B 19 -14.932 -5.257 2.509 1.00 3.02 O ATOM 0 H SER B 19 -14.739 -5.459 5.200 1.00 1.32 H new ATOM 0 HA SER B 19 -17.159 -5.821 3.780 1.00 1.78 H new ATOM 0 HB2 SER B 19 -14.375 -7.010 3.433 1.00 2.38 H new ATOM 0 HB3 SER B 19 -15.664 -7.165 2.256 1.00 2.38 H new ATOM 0 HG SER B 19 -15.503 -5.066 1.736 1.00 3.02 H new ATOM 1822 N VAL B 20 -15.922 -8.685 4.868 1.00 2.11 N ATOM 1823 CA VAL B 20 -16.319 -10.047 5.195 1.00 2.49 C ATOM 1824 C VAL B 20 -15.089 -10.895 5.523 1.00 2.64 C ATOM 1825 O VAL B 20 -13.954 -10.473 5.283 1.00 3.25 O ATOM 1826 CB VAL B 20 -17.103 -10.680 4.017 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -16.178 -10.971 2.848 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -17.852 -11.934 4.443 1.00 4.12 C ATOM 0 H VAL B 20 -14.915 -8.523 4.872 1.00 2.11 H new ATOM 0 HA VAL B 20 -16.968 -10.016 6.070 1.00 2.49 H new ATOM 0 HB VAL B 20 -17.848 -9.953 3.694 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -16.750 -11.415 2.033 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -15.720 -10.043 2.506 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -15.399 -11.665 3.164 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -18.388 -12.346 3.588 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -17.142 -12.672 4.816 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -18.563 -11.683 5.230 1.00 4.12 H new ATOM 1838 N ARG B 21 -15.321 -12.070 6.097 1.00 2.81 N ATOM 1839 CA ARG B 21 -14.258 -13.022 6.386 1.00 3.56 C ATOM 1840 C ARG B 21 -13.480 -13.374 5.116 1.00 3.97 C ATOM 1841 O ARG B 21 -14.040 -13.912 4.159 1.00 4.56 O ATOM 1842 CB ARG B 21 -14.841 -14.283 7.037 1.00 4.19 C ATOM 1843 CG ARG B 21 -15.933 -14.959 6.220 1.00 4.83 C ATOM 1844 CD ARG B 21 -16.552 -16.125 6.972 1.00 5.37 C ATOM 1845 NE ARG B 21 -17.213 -15.690 8.202 1.00 5.88 N ATOM 1846 CZ ARG B 21 -18.358 -16.198 8.655 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -18.966 -17.174 7.993 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -18.893 -15.730 9.775 1.00 7.28 N ATOM 0 H ARG B 21 -16.250 -12.388 6.374 1.00 2.81 H new ATOM 0 HA ARG B 21 -13.561 -12.561 7.086 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -14.035 -14.997 7.206 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -15.244 -14.020 8.015 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -16.707 -14.232 5.974 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.516 -15.313 5.277 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -17.275 -16.629 6.330 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -15.778 -16.853 7.214 1.00 5.37 H new ATOM 0 HE ARG B 21 -16.769 -14.951 8.747 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -18.557 -17.539 7.133 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -19.843 -17.559 8.344 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -18.428 -14.982 10.289 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -19.770 -16.118 10.123 1.00 7.28 H new ATOM 1862 N LYS B 22 -12.189 -13.044 5.128 1.00 4.14 N ATOM 1863 CA LYS B 22 -11.291 -13.233 3.982 1.00 4.91 C ATOM 1864 C LYS B 22 -11.658 -12.317 2.817 1.00 5.05 C ATOM 1865 O LYS B 22 -10.920 -11.386 2.500 1.00 5.59 O ATOM 1866 CB LYS B 22 -11.253 -14.696 3.521 1.00 5.69 C ATOM 1867 CG LYS B 22 -10.565 -15.637 4.502 1.00 6.45 C ATOM 1868 CD LYS B 22 -9.096 -15.282 4.711 1.00 7.33 C ATOM 1869 CE LYS B 22 -8.290 -15.385 3.420 1.00 8.20 C ATOM 1870 NZ LYS B 22 -8.281 -16.765 2.870 1.00 8.71 N ATOM 0 H LYS B 22 -11.729 -12.633 5.941 1.00 4.14 H new ATOM 0 HA LYS B 22 -10.292 -12.962 4.324 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -12.274 -15.041 3.357 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -10.740 -14.750 2.561 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -11.085 -15.603 5.460 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -10.641 -16.660 4.134 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -9.021 -14.268 5.104 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -8.666 -15.947 5.460 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -8.707 -14.703 2.679 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -7.265 -15.064 3.607 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -7.602 -16.821 2.084 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -8.003 -17.434 3.616 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -9.232 -17.007 2.524 1.00 8.71 H new ATOM 1884 N GLY B 23 -12.794 -12.577 2.191 1.00 4.89 N ATOM 1885 CA GLY B 23 -13.226 -11.775 1.069 1.00 5.27 C ATOM 1886 C GLY B 23 -14.263 -12.487 0.227 1.00 5.26 C ATOM 1887 O GLY B 23 -14.404 -13.706 0.312 1.00 5.68 O ATOM 0 H GLY B 23 -13.428 -13.335 2.443 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -13.639 -10.835 1.434 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -12.365 -11.526 0.449 1.00 5.27 H new ATOM 1891 N HIS B 24 -15.006 -11.727 -0.563 1.00 5.16 N ATOM 1892 CA HIS B 24 -15.986 -12.300 -1.478 1.00 5.45 C ATOM 1893 C HIS B 24 -15.450 -12.299 -2.901 1.00 5.00 C ATOM 1894 O HIS B 24 -14.318 -11.880 -3.141 1.00 5.43 O ATOM 1895 CB HIS B 24 -17.310 -11.534 -1.417 1.00 6.30 C ATOM 1896 CG HIS B 24 -18.299 -12.096 -0.441 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -19.658 -11.890 -0.548 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -18.124 -12.854 0.667 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -20.271 -12.493 0.452 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -19.365 -13.086 1.202 1.00 8.17 N ATOM 0 H HIS B 24 -14.950 -10.709 -0.590 1.00 5.16 H new ATOM 0 HA HIS B 24 -16.170 -13.329 -1.169 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -17.105 -10.496 -1.153 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -17.759 -11.528 -2.410 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -17.182 -13.210 1.057 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -21.337 -12.499 0.627 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -19.556 -13.629 2.044 1.00 8.17 H new ATOM 1909 N PHE B 25 -16.258 -12.760 -3.840 1.00 4.49 N ATOM 1910 CA PHE B 25 -15.837 -12.828 -5.230 1.00 4.32 C ATOM 1911 C PHE B 25 -16.259 -11.567 -5.978 1.00 3.72 C ATOM 1912 O PHE B 25 -15.419 -10.789 -6.435 1.00 3.96 O ATOM 1913 CB PHE B 25 -16.428 -14.068 -5.905 1.00 4.90 C ATOM 1914 CG PHE B 25 -16.092 -15.354 -5.202 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -14.895 -16.004 -5.452 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -16.975 -15.912 -4.293 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -14.585 -17.185 -4.807 1.00 7.09 C ATOM 1918 CE2 PHE B 25 -16.670 -17.093 -3.645 1.00 7.10 C ATOM 1919 CZ PHE B 25 -15.473 -17.731 -3.902 1.00 7.50 C ATOM 0 H PHE B 25 -17.207 -13.092 -3.667 1.00 4.49 H new ATOM 0 HA PHE B 25 -14.750 -12.900 -5.258 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -17.512 -13.963 -5.954 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -16.066 -14.120 -6.932 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -14.196 -15.583 -6.159 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -17.913 -15.418 -4.088 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -13.648 -17.682 -5.011 1.00 7.09 H new ATOM 0 HE2 PHE B 25 -17.367 -17.517 -2.938 1.00 7.10 H new ATOM 0 HZ PHE B 25 -15.232 -18.654 -3.397 1.00 7.50 H new ATOM 1929 N ASP B 26 -17.565 -11.362 -6.084 1.00 3.50 N ATOM 1930 CA ASP B 26 -18.109 -10.208 -6.794 1.00 3.49 C ATOM 1931 C ASP B 26 -18.487 -9.097 -5.820 1.00 3.06 C ATOM 1932 O ASP B 26 -18.612 -7.934 -6.210 1.00 3.62 O ATOM 1933 CB ASP B 26 -19.336 -10.607 -7.625 1.00 4.40 C ATOM 1934 CG ASP B 26 -20.547 -10.941 -6.770 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -20.663 -12.103 -6.327 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -21.387 -10.046 -6.535 1.00 5.62 O ATOM 0 H ASP B 26 -18.271 -11.981 -5.686 1.00 3.50 H new ATOM 0 HA ASP B 26 -17.333 -9.838 -7.465 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -19.590 -9.792 -8.303 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -19.085 -11.469 -8.243 1.00 4.40 H new ATOM 1941 N THR B 27 -18.677 -9.455 -4.556 1.00 2.56 N ATOM 1942 CA THR B 27 -19.040 -8.480 -3.536 1.00 2.53 C ATOM 1943 C THR B 27 -17.813 -7.690 -3.091 1.00 1.72 C ATOM 1944 O THR B 27 -17.250 -7.946 -2.030 1.00 2.30 O ATOM 1945 CB THR B 27 -19.675 -9.161 -2.309 1.00 3.34 C ATOM 1946 OG1 THR B 27 -20.526 -10.235 -2.730 1.00 3.84 O ATOM 1947 CG2 THR B 27 -20.485 -8.162 -1.495 1.00 3.95 C ATOM 0 H THR B 27 -18.586 -10.411 -4.214 1.00 2.56 H new ATOM 0 HA THR B 27 -19.771 -7.803 -3.979 1.00 2.53 H new ATOM 0 HB THR B 27 -18.873 -9.554 -1.684 1.00 3.34 H new ATOM 0 HG1 THR B 27 -20.412 -10.999 -2.127 1.00 3.84 H new ATOM 0 HG21 THR B 27 -20.924 -8.665 -0.634 1.00 3.95 H new ATOM 0 HG22 THR B 27 -19.833 -7.358 -1.152 1.00 3.95 H new ATOM 0 HG23 THR B 27 -21.279 -7.746 -2.115 1.00 3.95 H new ATOM 1955 N LEU B 28 -17.396 -6.756 -3.929 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.251 -5.900 -3.649 1.00 0.90 C ATOM 1957 C LEU B 28 -16.498 -4.526 -4.253 1.00 0.71 C ATOM 1958 O LEU B 28 -15.803 -4.111 -5.171 1.00 0.76 O ATOM 1959 CB LEU B 28 -14.973 -6.503 -4.253 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.520 -7.839 -3.659 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.444 -8.469 -4.525 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.000 -7.642 -2.247 1.00 2.37 C ATOM 0 H LEU B 28 -17.842 -6.568 -4.827 1.00 1.15 H new ATOM 0 HA LEU B 28 -16.123 -5.816 -2.570 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.128 -6.637 -5.324 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.164 -5.782 -4.136 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.380 -8.508 -3.627 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.134 -9.418 -4.087 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.838 -8.643 -5.526 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -12.586 -7.799 -4.584 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -13.682 -8.602 -1.839 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.153 -6.956 -2.264 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -14.791 -7.227 -1.623 1.00 2.37 H new ATOM 1974 N SER B 29 -17.502 -3.826 -3.761 1.00 0.61 N ATOM 1975 CA SER B 29 -17.934 -2.601 -4.413 1.00 0.48 C ATOM 1976 C SER B 29 -17.464 -1.340 -3.681 1.00 0.44 C ATOM 1977 O SER B 29 -16.692 -1.411 -2.725 1.00 0.53 O ATOM 1978 CB SER B 29 -19.449 -2.608 -4.569 1.00 0.55 C ATOM 1979 OG SER B 29 -19.894 -3.844 -5.105 1.00 1.35 O ATOM 0 H SER B 29 -18.028 -4.078 -2.924 1.00 0.61 H new ATOM 0 HA SER B 29 -17.467 -2.572 -5.398 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.920 -2.436 -3.601 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.756 -1.791 -5.223 1.00 0.55 H new ATOM 0 HG SER B 29 -20.870 -3.829 -5.196 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.949 -0.186 -4.136 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.500 1.105 -3.623 1.00 0.36 C ATOM 1987 C LYS B 30 -18.095 1.400 -2.249 1.00 0.36 C ATOM 1988 O LYS B 30 -17.525 2.164 -1.482 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.900 2.218 -4.592 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.218 3.557 -4.325 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.939 4.700 -5.029 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.340 4.318 -6.446 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.959 5.431 -7.207 1.00 1.32 N ATOM 0 H LYS B 30 -18.659 -0.120 -4.865 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.415 1.063 -3.527 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.666 1.901 -5.608 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -18.980 2.357 -4.542 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.194 3.747 -3.252 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.183 3.514 -4.665 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.827 4.976 -4.461 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.292 5.577 -5.057 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.458 3.968 -6.983 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.040 3.484 -6.404 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.130 5.128 -8.187 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.862 5.695 -6.764 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.320 6.251 -7.204 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.239 0.797 -1.949 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.928 1.080 -0.700 1.00 0.40 C ATOM 2009 C GLY B 31 -19.084 0.793 0.523 1.00 0.38 C ATOM 2010 O GLY B 31 -18.824 1.677 1.339 1.00 0.39 O ATOM 0 H GLY B 31 -19.704 0.115 -2.548 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.230 2.127 -0.688 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.840 0.485 -0.652 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.651 -0.446 0.634 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.811 -0.885 1.742 1.00 0.50 C ATOM 2016 C GLU B 32 -16.476 -0.159 1.740 1.00 0.42 C ATOM 2017 O GLU B 32 -15.944 0.195 2.795 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.601 -2.385 1.647 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.156 -2.841 0.270 1.00 0.96 C ATOM 2020 CD GLU B 32 -17.501 -4.284 0.001 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -16.907 -5.170 0.646 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -18.389 -4.536 -0.842 1.00 2.10 O ATOM 0 H GLU B 32 -18.869 -1.181 -0.039 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.313 -0.646 2.680 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.855 -2.688 2.382 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -18.530 -2.892 1.908 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -17.624 -2.212 -0.487 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -16.079 -2.705 0.176 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.953 0.053 0.543 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.738 0.808 0.344 1.00 0.34 C ATOM 2031 C LEU B 33 -14.884 2.174 0.981 1.00 0.30 C ATOM 2032 O LEU B 33 -14.050 2.601 1.761 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.501 0.962 -1.151 1.00 0.34 C ATOM 2034 CG LEU B 33 -13.094 1.373 -1.555 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -12.117 0.256 -1.235 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -13.055 1.729 -3.031 1.00 0.46 C ATOM 0 H LEU B 33 -16.367 -0.299 -0.320 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.895 0.290 0.801 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.737 0.016 -1.637 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.201 1.703 -1.537 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.801 2.256 -0.988 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -11.111 0.558 -1.527 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -12.138 0.050 -0.165 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -12.400 -0.643 -1.783 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -12.042 2.022 -3.308 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -13.357 0.864 -3.622 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.737 2.557 -3.224 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.985 2.819 0.652 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.317 4.140 1.145 1.00 0.31 C ATOM 2050 C LYS B 34 -16.330 4.177 2.669 1.00 0.35 C ATOM 2051 O LYS B 34 -15.755 5.080 3.275 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.674 4.534 0.570 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.252 5.826 1.122 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.538 6.200 0.407 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.110 7.511 0.922 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.506 7.429 2.353 1.00 1.87 N ATOM 0 H LYS B 34 -16.688 2.432 0.022 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.558 4.854 0.825 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.580 4.628 -0.512 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.381 3.726 0.760 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.445 5.715 2.189 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.524 6.630 1.012 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.348 6.282 -0.663 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.272 5.406 0.541 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.371 8.302 0.796 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.977 7.787 0.322 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.027 8.289 2.619 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.113 6.597 2.498 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -19.655 7.344 2.944 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.978 3.196 3.289 1.00 0.36 N ATOM 2071 CA GLN B 35 -16.957 3.081 4.743 1.00 0.43 C ATOM 2072 C GLN B 35 -15.529 3.000 5.241 1.00 0.43 C ATOM 2073 O GLN B 35 -15.085 3.874 5.979 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.747 1.864 5.221 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.205 2.168 5.520 1.00 1.07 C ATOM 2076 CD GLN B 35 -20.010 2.505 4.282 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.589 1.624 3.646 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.061 3.778 3.933 1.00 2.06 N ATOM 0 H GLN B 35 -17.520 2.475 2.812 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.432 3.972 5.153 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.695 1.085 4.460 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.276 1.464 6.119 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.655 1.307 6.015 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.260 3.002 6.219 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.567 4.479 4.486 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.594 4.060 3.110 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.808 1.977 4.790 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.427 1.756 5.187 1.00 0.39 C ATOM 2089 C LEU B 36 -12.612 3.033 5.044 1.00 0.38 C ATOM 2090 O LEU B 36 -11.934 3.452 5.958 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.834 0.642 4.324 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.397 0.236 4.639 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.188 -1.219 4.273 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.407 1.106 3.879 1.00 0.40 C ATOM 0 H LEU B 36 -15.168 1.279 4.139 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.397 1.460 6.236 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.468 -0.240 4.420 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.880 0.956 3.281 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.225 0.374 5.706 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.161 -1.507 4.499 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.874 -1.841 4.848 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.378 -1.357 3.209 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.390 0.796 4.121 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.574 0.997 2.807 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.546 2.149 4.163 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.703 3.647 3.891 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.961 4.860 3.603 1.00 0.35 C ATOM 2108 C LEU B 37 -12.315 5.996 4.556 1.00 0.41 C ATOM 2109 O LEU B 37 -11.431 6.620 5.140 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.234 5.280 2.170 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.793 4.261 1.125 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.194 4.708 -0.270 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.296 4.034 1.221 1.00 0.32 C ATOM 0 H LEU B 37 -13.292 3.325 3.123 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.901 4.647 3.741 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.302 5.463 2.054 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.726 6.225 1.977 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.297 3.315 1.323 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.868 3.965 -0.998 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.278 4.815 -0.320 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.724 5.666 -0.494 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.990 3.305 0.471 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.773 4.975 1.047 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.048 3.659 2.214 1.00 0.32 H new ATOM 2125 N THR B 38 -13.601 6.249 4.726 1.00 0.45 N ATOM 2126 CA THR B 38 -14.051 7.386 5.509 1.00 0.53 C ATOM 2127 C THR B 38 -13.782 7.198 7.000 1.00 0.59 C ATOM 2128 O THR B 38 -13.631 8.171 7.732 1.00 0.67 O ATOM 2129 CB THR B 38 -15.552 7.664 5.288 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.323 6.486 5.569 1.00 1.23 O ATOM 2131 CG2 THR B 38 -15.810 8.107 3.857 1.00 1.03 C ATOM 0 H THR B 38 -14.352 5.682 4.332 1.00 0.45 H new ATOM 0 HA THR B 38 -13.475 8.244 5.161 1.00 0.53 H new ATOM 0 HB THR B 38 -15.852 8.463 5.966 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.260 5.866 4.813 1.00 1.23 H new ATOM 0 HG21 THR B 38 -16.875 8.298 3.722 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.249 9.018 3.651 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.492 7.322 3.170 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.747 5.952 7.454 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.528 5.676 8.869 1.00 0.67 C ATOM 2141 C LYS B 39 -12.067 5.336 9.183 1.00 0.65 C ATOM 2142 O LYS B 39 -11.580 5.637 10.271 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.452 4.553 9.341 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.203 3.230 8.649 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.402 2.302 8.749 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.700 1.936 10.191 1.00 0.87 C ATOM 2147 NZ LYS B 39 -14.567 1.210 10.823 1.00 1.62 N ATOM 0 H LYS B 39 -13.866 5.124 6.871 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.765 6.590 9.413 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.328 4.420 10.416 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.487 4.851 9.174 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.969 3.408 7.599 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.332 2.747 9.092 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.274 2.783 8.306 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.212 1.396 8.174 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.913 2.842 10.759 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.596 1.316 10.231 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -14.796 1.007 11.817 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.402 0.317 10.317 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -13.710 1.797 10.778 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.367 4.720 8.236 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.025 4.205 8.500 1.00 0.58 C ATOM 2163 C GLU B 40 -8.953 5.145 7.950 1.00 0.56 C ATOM 2164 O GLU B 40 -7.923 5.369 8.588 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.851 2.804 7.889 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.845 1.763 8.391 1.00 0.88 C ATOM 2167 CD GLU B 40 -10.846 1.597 9.898 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.772 1.320 10.477 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -11.929 1.703 10.512 1.00 1.63 O ATOM 0 H GLU B 40 -11.702 4.565 7.285 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.905 4.140 9.581 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -9.942 2.881 6.806 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.841 2.453 8.100 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.847 2.043 8.065 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.616 0.803 7.929 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.204 5.702 6.771 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.245 6.588 6.114 1.00 0.49 C ATOM 2178 C LEU B 41 -8.730 8.028 6.201 1.00 0.53 C ATOM 2179 O LEU B 41 -8.304 8.890 5.429 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.041 6.196 4.639 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.255 4.902 4.377 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.007 3.675 4.871 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.952 4.765 2.894 1.00 1.42 C ATOM 0 H LEU B 41 -10.067 5.556 6.247 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.288 6.491 6.627 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.021 6.100 4.173 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.527 7.015 4.136 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.320 4.965 4.934 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.418 2.781 4.667 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.178 3.760 5.944 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -8.965 3.604 4.356 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.395 3.845 2.720 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -7.886 4.735 2.333 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.358 5.617 2.564 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.621 8.267 7.162 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.263 9.567 7.353 1.00 0.64 C ATOM 2197 C ALA B 42 -9.261 10.709 7.461 1.00 0.71 C ATOM 2198 O ALA B 42 -9.557 11.843 7.082 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.124 9.535 8.602 1.00 0.71 C ATOM 0 H ALA B 42 -9.920 7.560 7.834 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.875 9.752 6.470 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.600 10.506 8.740 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.890 8.767 8.496 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.501 9.310 9.468 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.086 10.412 7.980 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.099 11.443 8.253 1.00 0.83 C ATOM 2207 C ASN B 43 -5.846 11.256 7.396 1.00 0.83 C ATOM 2208 O ASN B 43 -4.751 11.670 7.776 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.736 11.420 9.741 1.00 1.00 C ATOM 2210 CG ASN B 43 -5.994 12.662 10.193 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.251 13.766 9.712 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -5.056 12.489 11.107 1.00 2.16 N ATOM 0 H ASN B 43 -7.790 9.466 8.222 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.530 12.411 7.998 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.648 11.315 10.329 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.122 10.543 9.945 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -4.514 13.287 11.439 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.874 11.558 11.481 1.00 2.16 H new ATOM 2219 N THR B 44 -5.994 10.624 6.241 1.00 0.65 N ATOM 2220 CA THR B 44 -4.864 10.459 5.340 1.00 0.61 C ATOM 2221 C THR B 44 -5.141 11.143 4.016 1.00 0.59 C ATOM 2222 O THR B 44 -4.485 12.116 3.652 1.00 0.66 O ATOM 2223 CB THR B 44 -4.548 8.979 5.071 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.693 8.218 6.276 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.128 8.837 4.544 1.00 0.52 C ATOM 0 H THR B 44 -6.871 10.223 5.909 1.00 0.65 H new ATOM 0 HA THR B 44 -4.003 10.914 5.830 1.00 0.61 H new ATOM 0 HB THR B 44 -5.247 8.602 4.324 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.256 7.435 6.103 1.00 0.65 H new ATOM 0 HG21 THR B 44 -2.913 7.785 4.356 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.026 9.399 3.616 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.426 9.225 5.282 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.139 10.638 3.317 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.496 11.140 2.006 1.00 0.51 C ATOM 2235 C ILE B 45 -7.355 12.392 2.144 1.00 0.59 C ATOM 2236 O ILE B 45 -8.299 12.409 2.937 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.269 10.065 1.224 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.470 8.756 1.182 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.586 10.552 -0.185 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.158 7.645 0.417 1.00 0.35 C ATOM 0 H ILE B 45 -6.724 9.869 3.642 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.584 11.390 1.464 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.212 9.874 1.737 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.498 8.949 0.728 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.285 8.421 2.203 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.133 9.778 -0.723 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.195 11.455 -0.130 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.657 10.772 -0.711 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.533 6.752 0.431 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.118 7.423 0.883 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.319 7.959 -0.614 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.014 13.442 1.389 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.747 14.699 1.460 1.00 0.74 C ATOM 2254 C LYS B 46 -9.224 14.471 1.216 1.00 0.68 C ATOM 2255 O LYS B 46 -9.613 13.881 0.206 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.190 15.742 0.470 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.546 15.536 -1.002 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.856 16.233 -1.362 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.162 16.108 -2.844 1.00 0.88 C ATOM 2260 NZ LYS B 46 -9.104 14.697 -3.308 1.00 1.61 N ATOM 0 H LYS B 46 -6.238 13.441 0.727 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.616 15.097 2.466 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.546 16.726 0.774 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.104 15.754 0.561 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.743 15.922 -1.629 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.630 14.470 -1.212 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.671 15.800 -0.783 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.796 17.287 -1.089 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -10.153 16.515 -3.045 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.450 16.706 -3.413 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.752 14.569 -4.111 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.134 14.469 -3.606 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -9.385 14.064 -2.532 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.030 14.910 2.171 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.478 14.836 2.060 1.00 0.67 C ATOM 2276 C ASN B 47 -11.934 13.452 1.634 1.00 0.59 C ATOM 2277 O ASN B 47 -12.809 13.322 0.784 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.997 15.871 1.064 1.00 0.69 C ATOM 2279 CG ASN B 47 -12.051 17.273 1.637 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.199 17.674 2.431 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.080 18.014 1.267 1.00 1.24 N ATOM 0 H ASN B 47 -9.700 15.326 3.042 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.888 15.047 3.048 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.357 15.870 0.182 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.995 15.581 0.735 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.191 18.956 1.642 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.764 17.644 0.607 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.347 12.417 2.227 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.734 11.040 1.919 1.00 0.48 C ATOM 2290 C ILE B 48 -13.198 10.807 2.292 1.00 0.48 C ATOM 2291 O ILE B 48 -13.796 9.785 1.968 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.840 10.024 2.664 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.087 8.602 2.156 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.082 10.099 4.160 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.858 8.439 0.670 1.00 0.38 C ATOM 0 H ILE B 48 -10.604 12.502 2.921 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.603 10.890 0.847 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.800 10.281 2.465 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.433 7.915 2.693 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.112 8.315 2.390 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.444 9.376 4.668 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.849 11.103 4.516 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.127 9.872 4.371 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.052 7.406 0.383 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.531 9.100 0.124 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.826 8.694 0.431 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.760 11.786 2.969 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.149 11.755 3.370 1.00 0.57 C ATOM 2309 C LYS B 49 -16.038 12.132 2.193 1.00 0.55 C ATOM 2310 O LYS B 49 -17.253 11.942 2.228 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.364 12.721 4.526 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.338 12.552 5.639 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.362 11.152 6.247 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.295 11.053 7.450 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.714 11.351 7.111 1.00 1.11 N ATOM 0 H LYS B 49 -13.263 12.629 3.257 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.411 10.748 3.694 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.321 13.744 4.151 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.364 12.574 4.935 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.342 12.757 5.245 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.529 13.288 6.420 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.676 10.435 5.488 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.353 10.874 6.550 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.231 10.050 7.871 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.958 11.745 8.222 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.337 10.953 7.843 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.851 12.381 7.063 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.947 10.927 6.190 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.414 12.665 1.149 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.132 13.063 -0.047 1.00 0.56 C ATOM 2331 C ASP B 50 -16.266 11.907 -1.012 1.00 0.50 C ATOM 2332 O ASP B 50 -15.289 11.258 -1.374 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.445 14.236 -0.748 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.988 15.580 -0.310 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.189 15.836 -0.538 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -15.223 16.389 0.261 1.00 1.59 O ATOM 0 H ASP B 50 -14.408 12.830 1.111 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.126 13.379 0.269 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.375 14.198 -0.546 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.569 14.133 -1.826 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.496 11.673 -1.428 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.814 10.643 -2.401 1.00 0.48 C ATOM 2343 C LYS B 51 -17.178 10.961 -3.745 1.00 0.49 C ATOM 2344 O LYS B 51 -16.921 10.066 -4.535 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.329 10.537 -2.521 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.850 9.707 -3.693 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.301 8.285 -3.713 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.084 7.420 -4.697 1.00 0.83 C ATOM 2349 NZ LYS B 51 -20.354 8.132 -5.975 1.00 0.92 N ATOM 0 H LYS B 51 -18.308 12.195 -1.099 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.411 9.686 -2.071 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.718 10.109 -1.597 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.739 11.544 -2.604 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -20.938 9.669 -3.647 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.588 10.204 -4.627 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.248 8.300 -3.992 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.360 7.853 -2.714 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.524 6.507 -4.902 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -21.028 7.120 -4.243 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -20.797 7.477 -6.650 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -20.994 8.932 -5.798 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -19.460 8.485 -6.371 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.916 12.237 -3.996 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.221 12.634 -5.212 1.00 0.60 C ATOM 2365 C ALA B 52 -14.753 12.275 -5.096 1.00 0.57 C ATOM 2366 O ALA B 52 -14.106 11.913 -6.073 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.374 14.122 -5.463 1.00 0.67 C ATOM 0 H ALA B 52 -17.172 13.008 -3.380 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.662 12.102 -6.055 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.846 14.393 -6.377 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.431 14.366 -5.569 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.955 14.677 -4.624 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.250 12.349 -3.874 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.861 12.012 -3.596 1.00 0.53 C ATOM 2375 C VAL B 53 -12.692 10.507 -3.669 1.00 0.47 C ATOM 2376 O VAL B 53 -11.749 9.993 -4.272 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.431 12.532 -2.206 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.114 11.913 -1.748 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.313 14.047 -2.221 1.00 0.60 C ATOM 0 H VAL B 53 -14.784 12.640 -3.055 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.225 12.491 -4.341 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.203 12.235 -1.496 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.849 12.306 -0.767 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.222 10.830 -1.688 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.328 12.160 -2.462 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.009 14.398 -1.235 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.568 14.347 -2.958 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.277 14.484 -2.481 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.638 9.812 -3.067 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.680 8.363 -3.113 1.00 0.36 C ATOM 2391 C ILE B 54 -13.901 7.860 -4.528 1.00 0.38 C ATOM 2392 O ILE B 54 -13.332 6.852 -4.935 1.00 0.38 O ATOM 2393 CB ILE B 54 -14.800 7.845 -2.218 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.492 8.230 -0.782 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -14.971 6.333 -2.362 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.556 7.805 0.189 1.00 0.38 C ATOM 0 H ILE B 54 -14.398 10.235 -2.533 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.718 7.992 -2.759 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.744 8.298 -2.520 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.543 7.782 -0.489 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.366 9.311 -0.722 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -15.777 5.994 -1.711 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.214 6.091 -3.397 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.044 5.834 -2.081 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.273 8.111 1.196 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.502 8.274 -0.080 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.666 6.721 0.157 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.727 8.577 -5.271 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.061 8.199 -6.636 1.00 0.47 C ATOM 2410 C ASP B 55 -13.813 8.238 -7.483 1.00 0.48 C ATOM 2411 O ASP B 55 -13.545 7.332 -8.263 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.102 9.153 -7.208 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.172 8.432 -7.991 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -18.088 7.863 -7.359 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -17.115 8.432 -9.239 1.00 1.43 O ATOM 0 H ASP B 55 -15.182 9.431 -4.949 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.474 7.190 -6.637 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.565 9.712 -6.395 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.609 9.879 -7.854 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.050 9.298 -7.291 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.765 9.475 -7.937 1.00 0.53 C ATOM 2422 C GLU B 56 -10.852 8.275 -7.694 1.00 0.47 C ATOM 2423 O GLU B 56 -10.216 7.765 -8.619 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.118 10.746 -7.399 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.692 12.020 -7.995 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.504 12.094 -9.496 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.440 12.570 -9.942 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.419 11.685 -10.237 1.00 1.66 O ATOM 0 H GLU B 56 -13.309 10.068 -6.675 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.917 9.558 -9.013 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.239 10.775 -6.316 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.047 10.711 -7.599 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.755 12.079 -7.762 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.215 12.882 -7.529 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.802 7.819 -6.448 1.00 0.42 N ATOM 2436 CA ILE B 57 -9.972 6.685 -6.086 1.00 0.39 C ATOM 2437 C ILE B 57 -10.518 5.407 -6.700 1.00 0.36 C ATOM 2438 O ILE B 57 -9.824 4.720 -7.442 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.923 6.516 -4.567 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.527 7.830 -3.897 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.953 5.412 -4.197 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.467 7.750 -2.391 1.00 1.00 C ATOM 0 H ILE B 57 -11.329 8.221 -5.673 1.00 0.42 H new ATOM 0 HA ILE B 57 -8.968 6.875 -6.465 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.915 6.239 -4.212 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.553 8.141 -4.274 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.241 8.603 -4.183 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.926 5.300 -3.113 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.277 4.475 -4.651 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.957 5.666 -4.561 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.179 8.720 -1.986 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.446 7.470 -2.002 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.732 7.001 -2.095 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.774 5.117 -6.385 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.467 3.937 -6.885 1.00 0.36 C ATOM 2456 C PHE B 58 -12.307 3.805 -8.394 1.00 0.41 C ATOM 2457 O PHE B 58 -11.973 2.737 -8.898 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.952 4.021 -6.504 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.874 3.301 -7.447 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -15.072 1.936 -7.345 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.539 3.999 -8.442 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.915 1.281 -8.221 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.381 3.351 -9.318 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.570 1.994 -9.210 1.00 0.93 C ATOM 0 H PHE B 58 -12.344 5.698 -5.771 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.026 3.050 -6.430 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.082 3.610 -5.503 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.245 5.070 -6.458 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.563 1.377 -6.573 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.395 5.066 -8.532 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -16.063 0.215 -8.135 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.892 3.908 -10.089 1.00 1.67 H new ATOM 0 HZ PHE B 58 -17.229 1.484 -9.897 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.525 4.903 -9.099 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.417 4.921 -10.551 1.00 0.52 C ATOM 2476 C GLN B 59 -10.986 4.649 -10.997 1.00 0.52 C ATOM 2477 O GLN B 59 -10.754 4.066 -12.056 1.00 0.57 O ATOM 2478 CB GLN B 59 -12.874 6.274 -11.099 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.384 6.474 -11.098 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.116 5.531 -12.037 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.263 5.161 -11.790 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -14.474 5.150 -13.129 1.00 1.63 N ATOM 0 H GLN B 59 -12.780 5.800 -8.687 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.060 4.134 -10.944 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.414 7.066 -10.508 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.506 6.383 -12.119 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.761 6.333 -10.085 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.607 7.503 -11.381 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -13.523 5.476 -13.302 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -14.930 4.530 -13.798 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.030 5.073 -10.178 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.632 4.862 -10.495 1.00 0.49 C ATOM 2493 C GLY B 60 -8.220 3.410 -10.343 1.00 0.47 C ATOM 2494 O GLY B 60 -7.229 2.974 -10.932 1.00 0.53 O ATOM 0 H GLY B 60 -10.200 5.560 -9.298 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.441 5.186 -11.518 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.016 5.482 -9.843 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.974 2.662 -9.547 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.689 1.250 -9.336 1.00 0.44 C ATOM 2500 C LEU B 61 -9.553 0.411 -10.256 1.00 0.51 C ATOM 2501 O LEU B 61 -9.075 -0.526 -10.891 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.946 0.845 -7.879 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.998 2.002 -6.892 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.588 1.549 -5.571 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.606 2.579 -6.691 1.00 0.35 C ATOM 0 H LEU B 61 -9.786 3.010 -9.038 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.636 1.078 -9.559 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.889 0.301 -7.829 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.163 0.154 -7.566 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.641 2.782 -7.299 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.617 2.390 -4.878 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.600 1.177 -5.733 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.972 0.754 -5.151 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.654 3.406 -5.983 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.944 1.806 -6.301 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.220 2.939 -7.645 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.826 0.770 -10.334 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.771 0.050 -11.171 1.00 0.59 C ATOM 2519 C ASP B 62 -11.613 0.480 -12.620 1.00 0.70 C ATOM 2520 O ASP B 62 -12.382 1.291 -13.141 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.211 0.285 -10.712 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.161 -0.764 -11.260 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.775 -1.513 -12.185 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -15.297 -0.852 -10.770 1.00 1.40 O ATOM 0 H ASP B 62 -11.228 1.558 -9.826 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.557 -1.015 -11.082 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.250 0.276 -9.623 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.538 1.274 -11.035 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.595 -0.068 -13.257 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.286 0.241 -14.644 1.00 0.94 C ATOM 2531 C ALA B 63 -11.386 -0.239 -15.580 1.00 1.12 C ATOM 2532 O ALA B 63 -11.616 0.352 -16.635 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.958 -0.386 -15.031 1.00 1.00 C ATOM 0 H ALA B 63 -9.958 -0.740 -12.829 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.216 1.324 -14.741 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.734 -0.150 -16.071 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.169 0.009 -14.391 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -9.017 -1.468 -14.909 1.00 1.00 H new ATOM 2539 N ASN B 64 -12.069 -1.305 -15.191 1.00 1.10 N ATOM 2540 CA ASN B 64 -13.117 -1.879 -16.024 1.00 1.28 C ATOM 2541 C ASN B 64 -14.459 -1.211 -15.754 1.00 1.22 C ATOM 2542 O ASN B 64 -15.392 -1.306 -16.555 1.00 1.37 O ATOM 2543 CB ASN B 64 -13.226 -3.390 -15.803 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.061 -4.167 -16.392 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -11.506 -3.681 -17.491 1.00 2.56 O flip ATOM 2546 ND2 ASN B 64 -11.668 -5.208 -15.868 1.00 2.80 N flip ATOM 0 H ASN B 64 -11.918 -1.790 -14.306 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.846 -1.699 -17.064 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.284 -3.591 -14.733 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -14.155 -3.749 -16.246 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -12.119 -5.554 -15.021 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -10.891 -5.725 -16.280 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.533 -0.543 -14.602 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.689 0.258 -14.208 1.00 1.06 C ATOM 2555 C GLN B 65 -16.941 -0.599 -14.042 1.00 1.04 C ATOM 2556 O GLN B 65 -17.991 -0.304 -14.613 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.940 1.380 -15.218 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.771 2.344 -15.361 1.00 1.38 C ATOM 2559 CD GLN B 65 -15.072 3.498 -16.297 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -16.325 3.923 -16.334 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -14.183 4.017 -16.973 1.00 2.58 N flip ATOM 0 H GLN B 65 -13.783 -0.544 -13.910 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.461 0.703 -13.239 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -16.158 0.940 -16.191 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.826 1.939 -14.915 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.508 2.738 -14.379 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.901 1.801 -15.730 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -13.228 3.662 -16.919 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -14.402 4.801 -17.587 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.831 -1.650 -13.246 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.970 -2.529 -12.978 1.00 0.95 C ATOM 2572 C ASP B 66 -18.453 -2.343 -11.549 1.00 0.81 C ATOM 2573 O ASP B 66 -19.297 -3.095 -11.058 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.599 -3.995 -13.208 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.337 -4.310 -14.665 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.307 -4.388 -15.448 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -16.162 -4.485 -15.039 1.00 1.88 O ATOM 0 H ASP B 66 -15.969 -1.919 -12.772 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.770 -2.261 -13.668 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.712 -4.237 -12.623 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -18.405 -4.631 -12.842 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.896 -1.327 -10.902 1.00 0.73 N ATOM 2583 CA GLU B 67 -18.163 -1.020 -9.505 1.00 0.63 C ATOM 2584 C GLU B 67 -17.652 -2.149 -8.621 1.00 0.58 C ATOM 2585 O GLU B 67 -18.311 -2.573 -7.670 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.646 -0.738 -9.255 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.891 0.043 -7.975 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.351 0.366 -7.752 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.855 1.324 -8.371 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -22.003 -0.337 -6.955 1.00 2.01 O ATOM 0 H GLU B 67 -17.236 -0.684 -11.341 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.628 -0.106 -9.248 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -20.052 -0.180 -10.099 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.188 -1.683 -9.208 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.518 -0.532 -7.128 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.320 0.971 -8.007 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.464 -2.629 -8.950 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.830 -3.699 -8.201 1.00 0.66 C ATOM 2599 C GLN B 68 -14.346 -3.407 -8.026 1.00 0.66 C ATOM 2600 O GLN B 68 -13.600 -3.329 -9.001 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.005 -5.045 -8.914 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.451 -5.488 -9.069 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.593 -6.766 -9.873 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.692 -6.980 -10.820 1.00 2.16 O flip ATOM 2605 NE2 GLN B 68 -18.512 -7.553 -9.651 1.00 2.07 N flip ATOM 0 H GLN B 68 -15.915 -2.289 -9.740 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.309 -3.756 -7.223 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.549 -4.981 -9.902 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.460 -5.810 -8.360 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -17.889 -5.635 -8.082 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.019 -4.694 -9.554 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -19.187 -7.354 -8.913 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.599 -8.405 -10.205 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.934 -3.243 -6.785 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.536 -3.054 -6.452 1.00 0.64 C ATOM 2616 C VAL B 69 -11.974 -4.316 -5.803 1.00 0.64 C ATOM 2617 O VAL B 69 -12.311 -4.644 -4.664 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.354 -1.853 -5.500 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -10.900 -1.697 -5.087 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.860 -0.577 -6.156 1.00 1.22 C ATOM 0 H VAL B 69 -14.559 -3.237 -5.979 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.993 -2.851 -7.375 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.940 -2.042 -4.601 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -10.802 -0.843 -4.417 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -10.568 -2.600 -4.575 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.286 -1.535 -5.973 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.725 0.262 -5.473 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -12.300 -0.392 -7.072 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -13.918 -0.685 -6.393 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.136 -5.029 -6.542 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.478 -6.231 -6.033 1.00 0.73 C ATOM 2632 C ASP B 70 -9.425 -5.861 -4.994 1.00 0.64 C ATOM 2633 O ASP B 70 -9.078 -4.695 -4.866 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.827 -7.006 -7.186 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.062 -8.232 -6.724 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.703 -9.216 -6.313 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -7.811 -8.202 -6.742 1.00 1.98 O ATOM 0 H ASP B 70 -10.892 -4.796 -7.505 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.229 -6.864 -5.560 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.599 -7.312 -7.892 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.149 -6.343 -7.724 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.911 -6.842 -4.265 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.843 -6.600 -3.300 1.00 0.67 C ATOM 2644 C PHE B 71 -6.617 -5.986 -3.982 1.00 0.56 C ATOM 2645 O PHE B 71 -5.880 -5.211 -3.376 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.452 -7.901 -2.600 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.522 -8.454 -1.703 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.599 -9.151 -2.228 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -8.448 -8.280 -0.330 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.581 -9.660 -1.401 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -9.425 -8.789 0.501 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.494 -9.478 -0.035 1.00 1.77 C ATOM 0 H PHE B 71 -9.215 -7.814 -4.322 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.215 -5.894 -2.557 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.202 -8.647 -3.354 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.551 -7.729 -2.011 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.671 -9.298 -3.296 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -7.615 -7.739 0.095 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.416 -10.200 -1.822 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -9.353 -8.648 1.569 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.262 -9.874 0.613 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.408 -6.338 -5.245 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.309 -5.789 -6.031 1.00 0.57 C ATOM 2664 C GLN B 72 -5.602 -4.345 -6.435 1.00 0.50 C ATOM 2665 O GLN B 72 -4.711 -3.498 -6.482 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.076 -6.650 -7.271 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.042 -6.085 -8.222 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.863 -6.942 -9.458 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.788 -7.625 -9.895 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.672 -6.910 -10.032 1.00 1.66 N ATOM 0 H GLN B 72 -6.990 -7.006 -5.750 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.407 -5.795 -5.420 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.762 -7.645 -6.957 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.020 -6.767 -7.803 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.338 -5.079 -8.521 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.087 -5.995 -7.704 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -1.931 -6.330 -9.638 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.494 -7.465 -10.869 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.856 -4.066 -6.723 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.280 -2.714 -7.052 1.00 0.47 C ATOM 2681 C GLU B 73 -7.365 -1.876 -5.782 1.00 0.36 C ATOM 2682 O GLU B 73 -7.153 -0.665 -5.796 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.612 -2.766 -7.790 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.539 -3.630 -9.040 1.00 0.78 C ATOM 2685 CD GLU B 73 -9.875 -3.811 -9.718 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.743 -4.498 -9.145 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -10.046 -3.296 -10.838 1.00 1.82 O ATOM 0 H GLU B 73 -7.605 -4.758 -6.737 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.550 -2.241 -7.709 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.380 -3.157 -7.123 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -8.913 -1.755 -8.065 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -7.840 -3.180 -9.744 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.138 -4.608 -8.774 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.649 -2.541 -4.681 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.591 -1.921 -3.371 1.00 0.34 C ATOM 2696 C PHE B 74 -6.136 -1.658 -3.006 1.00 0.32 C ATOM 2697 O PHE B 74 -5.826 -0.765 -2.224 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.262 -2.836 -2.340 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.284 -2.290 -0.940 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.899 -1.081 -0.662 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.698 -2.993 0.099 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.927 -0.582 0.626 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.723 -2.500 1.388 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.337 -1.293 1.652 1.00 1.90 C ATOM 0 H PHE B 74 -7.926 -3.523 -4.667 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.124 -0.970 -3.381 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.287 -3.029 -2.657 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.745 -3.795 -2.334 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.362 -0.522 -1.461 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -7.216 -3.938 -0.102 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.409 0.362 0.830 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -7.262 -3.059 2.189 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.356 -0.905 2.660 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.252 -2.428 -3.620 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.825 -2.247 -3.461 1.00 0.36 C ATOM 2716 C ILE B 75 -3.403 -0.932 -4.104 1.00 0.34 C ATOM 2717 O ILE B 75 -2.611 -0.176 -3.541 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.061 -3.442 -4.076 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.582 -4.381 -2.985 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.903 -2.992 -4.948 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.165 -5.724 -3.517 1.00 0.67 C ATOM 0 H ILE B 75 -5.507 -3.195 -4.242 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.580 -2.207 -2.400 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.757 -3.978 -4.722 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.741 -3.925 -2.462 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.378 -4.516 -2.252 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.396 -3.865 -5.358 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.280 -2.375 -5.763 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.200 -2.412 -4.349 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.832 -6.354 -2.693 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.011 -6.196 -4.016 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.349 -5.596 -4.229 1.00 0.67 H new ATOM 2733 N SER B 76 -3.960 -0.649 -5.278 1.00 0.34 N ATOM 2734 CA SER B 76 -3.717 0.621 -5.924 1.00 0.36 C ATOM 2735 C SER B 76 -4.394 1.745 -5.152 1.00 0.31 C ATOM 2736 O SER B 76 -3.968 2.883 -5.221 1.00 0.33 O ATOM 2737 CB SER B 76 -4.171 0.599 -7.381 1.00 0.45 C ATOM 2738 OG SER B 76 -5.310 -0.223 -7.557 1.00 0.74 O ATOM 0 H SER B 76 -4.576 -1.280 -5.791 1.00 0.34 H new ATOM 0 HA SER B 76 -2.642 0.804 -5.923 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.399 1.614 -7.707 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.359 0.237 -8.011 1.00 0.45 H new ATOM 0 HG SER B 76 -5.960 -0.038 -6.847 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.431 1.424 -4.392 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.049 2.419 -3.530 1.00 0.26 C ATOM 2746 C LEU B 77 -5.064 2.834 -2.449 1.00 0.23 C ATOM 2747 O LEU B 77 -4.935 4.014 -2.125 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.341 1.883 -2.907 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.029 2.823 -1.911 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -9.525 2.598 -1.926 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -7.494 2.607 -0.500 1.00 1.14 C ATOM 0 H LEU B 77 -5.856 0.498 -4.354 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.311 3.290 -4.131 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.043 1.653 -3.709 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.118 0.944 -2.400 1.00 0.30 H new ATOM 0 HG LEU B 77 -7.815 3.848 -2.213 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -10.001 3.272 -1.214 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -9.912 2.794 -2.926 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -9.741 1.566 -1.649 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -7.998 3.286 0.188 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.679 1.577 -0.194 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -6.422 2.803 -0.483 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.359 1.850 -1.907 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.332 2.111 -0.915 1.00 0.25 C ATOM 2765 C VAL B 78 -2.217 2.916 -1.547 1.00 0.27 C ATOM 2766 O VAL B 78 -1.538 3.671 -0.877 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.742 0.813 -0.337 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.858 1.114 0.859 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.850 -0.154 0.039 1.00 0.31 C ATOM 0 H VAL B 78 -4.482 0.864 -2.140 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.796 2.664 -0.099 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.126 0.343 -1.103 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.450 0.183 1.254 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.041 1.767 0.552 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.447 1.608 1.632 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.414 -1.066 0.446 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.495 0.305 0.788 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.437 -0.396 -0.847 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.041 2.748 -2.846 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.090 3.547 -3.593 1.00 0.36 C ATOM 2781 C ALA B 79 -1.466 5.024 -3.507 1.00 0.33 C ATOM 2782 O ALA B 79 -0.648 5.869 -3.141 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.052 3.095 -5.044 1.00 0.43 C ATOM 0 H ALA B 79 -2.547 2.062 -3.406 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.099 3.413 -3.161 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.334 3.702 -5.596 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.753 2.048 -5.091 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.041 3.210 -5.487 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.722 5.313 -3.826 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.276 6.661 -3.710 1.00 0.32 C ATOM 2791 C ILE B 80 -3.126 7.173 -2.280 1.00 0.28 C ATOM 2792 O ILE B 80 -2.828 8.344 -2.054 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.780 6.687 -4.117 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.962 6.653 -5.644 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.481 7.914 -3.545 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.397 5.429 -6.331 1.00 0.40 C ATOM 0 H ILE B 80 -3.387 4.621 -4.172 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.721 7.309 -4.388 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.234 5.788 -3.699 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.027 6.718 -5.869 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.492 7.539 -6.070 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.529 7.907 -3.844 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.414 7.897 -2.457 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.002 8.817 -3.924 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.575 5.499 -7.404 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.325 5.369 -6.144 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.883 4.535 -5.940 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.304 6.274 -1.328 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.271 6.617 0.083 1.00 0.23 C ATOM 2810 C ALA B 81 -1.842 6.838 0.594 1.00 0.23 C ATOM 2811 O ALA B 81 -1.601 7.680 1.457 1.00 0.28 O ATOM 2812 CB ALA B 81 -3.975 5.533 0.869 1.00 0.24 C ATOM 0 H ALA B 81 -3.476 5.285 -1.511 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.791 7.565 0.222 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -3.955 5.782 1.930 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.009 5.454 0.534 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.468 4.581 0.710 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.898 6.079 0.057 1.00 0.22 N ATOM 2819 CA LEU B 82 0.511 6.256 0.382 1.00 0.23 C ATOM 2820 C LEU B 82 1.023 7.534 -0.260 1.00 0.24 C ATOM 2821 O LEU B 82 1.885 8.229 0.287 1.00 0.30 O ATOM 2822 CB LEU B 82 1.328 5.063 -0.112 1.00 0.25 C ATOM 2823 CG LEU B 82 1.038 3.733 0.585 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.763 2.610 -0.120 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.449 3.791 2.047 1.00 0.32 C ATOM 0 H LEU B 82 -1.083 5.330 -0.610 1.00 0.22 H new ATOM 0 HA LEU B 82 0.618 6.324 1.465 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.150 4.940 -1.180 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.386 5.294 0.010 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.035 3.545 0.540 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.550 1.667 0.384 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.426 2.553 -1.155 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.836 2.799 -0.098 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.234 2.835 2.524 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.517 3.999 2.117 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.892 4.581 2.551 1.00 0.32 H new ATOM 2837 N LYS B 83 0.489 7.826 -1.438 1.00 0.26 N ATOM 2838 CA LYS B 83 0.742 9.088 -2.102 1.00 0.33 C ATOM 2839 C LYS B 83 0.078 10.223 -1.332 1.00 0.31 C ATOM 2840 O LYS B 83 0.567 11.338 -1.328 1.00 0.44 O ATOM 2841 CB LYS B 83 0.235 9.047 -3.546 1.00 0.42 C ATOM 2842 CG LYS B 83 1.212 8.430 -4.531 1.00 0.66 C ATOM 2843 CD LYS B 83 1.442 9.305 -5.749 1.00 1.04 C ATOM 2844 CE LYS B 83 2.711 10.130 -5.608 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.965 10.968 -6.811 1.00 1.67 N ATOM 0 H LYS B 83 -0.127 7.197 -1.953 1.00 0.26 H new ATOM 0 HA LYS B 83 1.818 9.263 -2.126 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.698 8.484 -3.576 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.005 10.063 -3.868 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.164 8.253 -4.030 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.835 7.459 -4.852 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.509 8.681 -6.640 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.589 9.969 -5.889 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.632 10.771 -4.730 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.559 9.466 -5.443 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.839 11.515 -6.675 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.066 10.356 -7.646 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.168 11.620 -6.955 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.029 9.928 -0.675 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.700 10.910 0.167 1.00 0.35 C ATOM 2861 C ALA B 84 -0.803 11.328 1.324 1.00 0.33 C ATOM 2862 O ALA B 84 -0.743 12.497 1.689 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.010 10.348 0.690 1.00 0.48 C ATOM 0 H ALA B 84 -1.485 9.016 -0.706 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.914 11.792 -0.437 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.500 11.092 1.317 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.659 10.096 -0.149 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -2.813 9.451 1.278 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.094 10.360 1.880 1.00 0.30 N ATOM 2870 CA ALA B 85 0.772 10.604 3.019 1.00 0.38 C ATOM 2871 C ALA B 85 2.007 11.427 2.641 1.00 0.44 C ATOM 2872 O ALA B 85 2.260 12.474 3.233 1.00 0.57 O ATOM 2873 CB ALA B 85 1.181 9.281 3.647 1.00 0.42 C ATOM 0 H ALA B 85 -0.102 9.392 1.558 1.00 0.30 H new ATOM 0 HA ALA B 85 0.210 11.192 3.745 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.831 9.469 4.501 1.00 0.42 H new ATOM 0 HB2 ALA B 85 0.292 8.745 3.979 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.714 8.679 2.912 1.00 0.42 H new ATOM 2879 N HIS B 86 2.779 10.965 1.661 1.00 0.44 N ATOM 2880 CA HIS B 86 4.037 11.629 1.323 1.00 0.59 C ATOM 2881 C HIS B 86 3.824 12.783 0.329 1.00 0.63 C ATOM 2882 O HIS B 86 4.416 13.848 0.462 1.00 0.72 O ATOM 2883 CB HIS B 86 5.064 10.603 0.798 1.00 0.69 C ATOM 2884 CG HIS B 86 4.900 10.179 -0.635 1.00 1.28 C ATOM 2885 ND1 HIS B 86 4.208 9.048 -1.013 1.00 2.06 N ATOM 2886 CD2 HIS B 86 5.381 10.720 -1.779 1.00 2.11 C ATOM 2887 CE1 HIS B 86 4.277 8.912 -2.326 1.00 2.66 C ATOM 2888 NE2 HIS B 86 4.981 9.914 -2.813 1.00 2.68 N ATOM 0 H HIS B 86 2.561 10.146 1.094 1.00 0.44 H new ATOM 0 HA HIS B 86 4.439 12.073 2.234 1.00 0.59 H new ATOM 0 HB2 HIS B 86 6.062 11.023 0.920 1.00 0.69 H new ATOM 0 HB3 HIS B 86 5.014 9.714 1.427 1.00 0.69 H new ATOM 0 HD1 HIS B 86 3.720 8.416 -0.379 1.00 2.06 H new ATOM 0 HD2 HIS B 86 5.971 11.621 -1.862 1.00 2.11 H new ATOM 0 HE1 HIS B 86 3.832 8.115 -2.902 1.00 2.66 H new ATOM 2897 N TYR B 87 2.950 12.561 -0.642 1.00 0.58 N ATOM 2898 CA TYR B 87 2.634 13.541 -1.687 1.00 0.65 C ATOM 2899 C TYR B 87 1.478 14.437 -1.230 1.00 0.62 C ATOM 2900 O TYR B 87 0.698 14.925 -2.044 1.00 0.66 O ATOM 2901 CB TYR B 87 2.314 12.842 -3.016 1.00 0.69 C ATOM 2902 CG TYR B 87 2.212 13.774 -4.207 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.296 14.545 -4.608 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.028 13.884 -4.927 1.00 1.63 C ATOM 2905 CE1 TYR B 87 3.203 15.396 -5.692 1.00 1.54 C ATOM 2906 CE2 TYR B 87 0.929 14.733 -6.013 1.00 1.80 C ATOM 2907 CZ TYR B 87 2.018 15.486 -6.391 1.00 1.29 C ATOM 2908 OH TYR B 87 1.924 16.332 -7.472 1.00 1.51 O ATOM 0 H TYR B 87 2.431 11.688 -0.733 1.00 0.58 H new ATOM 0 HA TYR B 87 3.508 14.170 -1.856 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.086 12.099 -3.217 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.373 12.303 -2.911 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.226 14.478 -4.063 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.171 13.296 -4.633 1.00 1.63 H new ATOM 0 HE1 TYR B 87 4.055 15.988 -5.991 1.00 1.54 H new ATOM 0 HE2 TYR B 87 0.002 14.805 -6.562 1.00 1.80 H new ATOM 0 HH TYR B 87 1.023 16.276 -7.854 1.00 1.51 H new ATOM 2918 N HIS B 88 1.319 14.501 0.093 1.00 0.59 N ATOM 2919 CA HIS B 88 0.273 15.271 0.807 1.00 0.62 C ATOM 2920 C HIS B 88 0.053 16.729 0.335 1.00 0.70 C ATOM 2921 O HIS B 88 -0.475 17.542 1.087 1.00 0.76 O ATOM 2922 CB HIS B 88 0.608 15.290 2.307 1.00 0.65 C ATOM 2923 CG HIS B 88 1.980 15.812 2.629 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.954 15.038 3.217 1.00 2.37 N ATOM 2925 CD2 HIS B 88 2.539 17.033 2.448 1.00 2.40 C ATOM 2926 CE1 HIS B 88 4.047 15.755 3.383 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.824 16.970 2.924 1.00 3.27 N ATOM 0 H HIS B 88 1.936 14.000 0.732 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.659 14.753 0.581 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.131 15.902 2.824 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.516 14.278 2.701 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.846 14.059 3.483 1.00 2.37 H new ATOM 0 HD2 HIS B 88 2.061 17.897 2.010 1.00 2.40 H new ATOM 0 HE1 HIS B 88 4.970 15.406 3.821 1.00 3.26 H new ATOM 2936 N THR B 89 0.462 17.070 -0.867 1.00 0.73 N ATOM 2937 CA THR B 89 0.265 18.412 -1.390 1.00 0.81 C ATOM 2938 C THR B 89 -1.100 18.547 -2.076 1.00 0.72 C ATOM 2939 O THR B 89 -1.512 19.650 -2.436 1.00 1.05 O ATOM 2940 CB THR B 89 1.389 18.779 -2.383 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.197 20.104 -2.899 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.448 17.785 -3.533 1.00 0.90 C ATOM 0 H THR B 89 0.937 16.434 -1.508 1.00 0.73 H new ATOM 0 HA THR B 89 0.296 19.102 -0.547 1.00 0.81 H new ATOM 0 HB THR B 89 2.334 18.742 -1.841 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.256 20.360 -2.802 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.248 18.067 -4.217 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.641 16.786 -3.141 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.497 17.788 -4.066 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.801 17.427 -2.252 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.100 17.438 -2.940 1.00 0.65 C ATOM 2952 C HIS B 90 -3.909 16.192 -2.627 1.00 0.94 C ATOM 2953 O HIS B 90 -5.132 16.207 -2.721 1.00 1.78 O ATOM 2954 CB HIS B 90 -2.890 17.573 -4.456 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.142 17.880 -5.224 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -4.494 19.156 -5.602 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -5.121 17.070 -5.691 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -5.633 19.117 -6.266 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -6.035 17.864 -6.334 1.00 3.47 N ATOM 0 H HIS B 90 -1.498 16.507 -1.933 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.665 18.297 -2.578 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -2.160 18.361 -4.642 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -2.462 16.646 -4.836 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -5.172 15.997 -5.578 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -6.149 19.969 -6.684 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -6.887 17.538 -6.790 1.00 3.47 H new ATOM 2968 N LYS B 91 -3.242 15.117 -2.260 1.00 0.91 N ATOM 2969 CA LYS B 91 -3.949 13.929 -1.822 1.00 1.63 C ATOM 2970 C LYS B 91 -4.109 13.948 -0.306 1.00 2.59 C ATOM 2971 O LYS B 91 -4.538 12.973 0.299 1.00 3.47 O ATOM 2972 CB LYS B 91 -3.244 12.663 -2.323 1.00 1.10 C ATOM 2973 CG LYS B 91 -3.460 12.437 -3.813 1.00 1.28 C ATOM 2974 CD LYS B 91 -2.663 11.262 -4.362 1.00 0.87 C ATOM 2975 CE LYS B 91 -2.980 11.050 -5.836 1.00 0.78 C ATOM 2976 NZ LYS B 91 -2.116 10.014 -6.457 1.00 1.29 N ATOM 0 H LYS B 91 -2.225 15.040 -2.255 1.00 0.91 H new ATOM 0 HA LYS B 91 -4.949 13.922 -2.256 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.176 12.739 -2.120 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.613 11.800 -1.769 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -4.521 12.267 -3.998 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -3.183 13.341 -4.355 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -1.596 11.447 -4.236 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -2.899 10.359 -3.799 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -4.025 10.759 -5.942 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -2.855 11.992 -6.371 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -2.653 9.509 -7.191 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -1.284 10.467 -6.887 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -1.805 9.339 -5.729 1.00 1.29 H new ATOM 2990 N GLU B 92 -3.790 15.097 0.284 1.00 2.69 N ATOM 2991 CA GLU B 92 -3.980 15.343 1.707 1.00 3.81 C ATOM 2992 C GLU B 92 -4.203 16.834 1.915 1.00 4.36 C ATOM 2993 O GLU B 92 -3.279 17.615 1.614 1.00 4.92 O ATOM 2994 CB GLU B 92 -2.769 14.853 2.512 1.00 4.66 C ATOM 2995 CG GLU B 92 -2.927 14.950 4.030 1.00 5.74 C ATOM 2996 CD GLU B 92 -2.434 16.265 4.612 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -1.205 16.433 4.754 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -3.268 17.134 4.954 1.00 7.08 O ATOM 2999 OXT GLU B 92 -5.305 17.225 2.352 1.00 4.64 O ATOM 0 H GLU B 92 -3.389 15.889 -0.218 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.850 14.790 2.062 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -2.570 13.815 2.247 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -1.894 15.431 2.214 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -3.979 14.821 4.286 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -2.382 14.129 4.496 1.00 5.74 H new TER 3006 GLU B 92